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]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422882106 533796660 /nfs/dbraw/zinc/79/66/60/533796660.db2.gz PAFLYZUBEJYPGV-XMTFNYHQSA-N 2 3 295.515 2.852 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422882106 533796674 /nfs/dbraw/zinc/79/66/74/533796674.db2.gz PAFLYZUBEJYPGV-XMTFNYHQSA-N 2 3 295.515 2.852 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000842476194 631640819 /nfs/dbraw/zinc/64/08/19/631640819.db2.gz JATNTLDBNIBMSN-AEFFLSMTSA-N 2 3 293.499 2.844 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000842476194 631640823 /nfs/dbraw/zinc/64/08/23/631640823.db2.gz JATNTLDBNIBMSN-AEFFLSMTSA-N 2 3 293.499 2.844 20 0 CFADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231977 642085880 /nfs/dbraw/zinc/08/58/80/642085880.db2.gz HZSJTVOGYAUHCF-KBAYOESNSA-N 2 3 295.515 2.837 20 0 CFADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231977 642085887 /nfs/dbraw/zinc/08/58/87/642085887.db2.gz HZSJTVOGYAUHCF-KBAYOESNSA-N 2 3 295.515 2.837 20 0 CFADHP C[NH+](C)Cc1cccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528225 648201657 /nfs/dbraw/zinc/20/16/57/648201657.db2.gz ZULUIAIIILYEHF-SJORKVTESA-N 2 3 289.467 2.744 20 0 CFADHP C1CC2(C1)NCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541374 648208074 /nfs/dbraw/zinc/20/80/74/648208074.db2.gz HWTVPTOSBQZFIL-JCYILVPMSA-N 2 3 291.483 2.658 20 0 CFADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808386 648329823 /nfs/dbraw/zinc/32/98/23/648329823.db2.gz NHUHBIBEHPWWAH-IRXDYDNUSA-N 2 3 281.488 2.654 20 0 CFADHP C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925820462 648333525 /nfs/dbraw/zinc/33/35/25/648333525.db2.gz CSZIEKUDGBUVKR-NALMEZQBSA-N 2 3 293.499 2.904 20 0 CFADHP C[NH+](C)C1CCC([NH+]2C(C)(C)CC(N)CC2(C)C)CC1 ZINC001168297582 778413202 /nfs/dbraw/zinc/41/32/02/778413202.db2.gz FASGARORDWECFM-UHFFFAOYSA-N 2 3 281.488 2.840 20 0 CFADHP CC(C)C[N@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550824 778875499 /nfs/dbraw/zinc/87/54/99/778875499.db2.gz NCNBEDGJYLALAM-ULQDDVLXSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)C[N@@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550824 778875504 /nfs/dbraw/zinc/87/55/04/778875504.db2.gz NCNBEDGJYLALAM-ULQDDVLXSA-N 2 3 281.488 2.747 20 0 CFADHP CN1CCC=C(c2cccc(C[NH+]3CCC(C[NH3+])CC3)c2)C1 ZINC001241570266 780987216 /nfs/dbraw/zinc/98/72/16/780987216.db2.gz FZTRGDPEFOEKBO-UHFFFAOYSA-N 2 3 299.462 2.576 20 0 CFADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000250319022 348287023 /nfs/dbraw/zinc/28/70/23/348287023.db2.gz MWHIJJHTUXBARQ-KZNAEPCWSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]1CCNCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723188 237139054 /nfs/dbraw/zinc/13/90/54/237139054.db2.gz ZUUZUFJWHSKWJB-IRXDYDNUSA-N 2 3 281.488 2.620 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000415027345 381719587 /nfs/dbraw/zinc/71/95/87/381719587.db2.gz WHNULYYPPSMRKW-UXLLHSPISA-N 2 3 281.488 2.747 20 0 CFADHP CC[N@H+](CCC1CCN(CCC[NH2+]C)CC1)CC(C)C ZINC000420363696 382385760 /nfs/dbraw/zinc/38/57/60/382385760.db2.gz BXSDYUWQRQKIAQ-UHFFFAOYSA-N 2 3 283.504 2.676 20 0 CFADHP CC[N@@H+](CCC1CCN(CCC[NH2+]C)CC1)CC(C)C ZINC000420363696 382385764 /nfs/dbraw/zinc/38/57/64/382385764.db2.gz BXSDYUWQRQKIAQ-UHFFFAOYSA-N 2 3 283.504 2.676 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000576598112 324636834 /nfs/dbraw/zinc/63/68/34/324636834.db2.gz FWAANSDXCSLGCH-DLBZAZTESA-N 2 3 281.488 2.604 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422840627 528172268 /nfs/dbraw/zinc/17/22/68/528172268.db2.gz UFBNBCNFBXTNCT-PMPSAXMXSA-N 2 3 269.477 2.604 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422690030 528195801 /nfs/dbraw/zinc/19/58/01/528195801.db2.gz GBPIMDLHSSMTAE-HUUCEWRRSA-N 2 3 277.456 2.744 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422780374 528200208 /nfs/dbraw/zinc/20/02/08/528200208.db2.gz DBXPUMQFIMEPJY-LSDHHAIUSA-N 2 3 277.456 2.744 20 0 CFADHP CCCN1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414802389 528204578 /nfs/dbraw/zinc/20/45/78/528204578.db2.gz BIJAQHNPITUXQL-CQSZACIVSA-N 2 3 275.440 2.670 20 0 CFADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000903442436 621382674 /nfs/dbraw/zinc/38/26/74/621382674.db2.gz QJIQCAGYBLTFEB-OKZBNKHCSA-N 2 3 293.499 2.702 20 0 CFADHP C[C@H](CN[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479655 624714174 /nfs/dbraw/zinc/71/41/74/624714174.db2.gz JEHAJQNOAQGSBG-SJLPKXTDSA-N 2 3 289.467 2.788 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000842476197 631641098 /nfs/dbraw/zinc/64/10/98/631641098.db2.gz JATNTLDBNIBMSN-WMZOPIPTSA-N 2 3 293.499 2.844 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000842476197 631641101 /nfs/dbraw/zinc/64/11/01/631641101.db2.gz JATNTLDBNIBMSN-WMZOPIPTSA-N 2 3 293.499 2.844 20 0 CFADHP NC[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901072 632724597 /nfs/dbraw/zinc/72/45/97/632724597.db2.gz SDABWZATZOJVRJ-CPFNUKBASA-N 2 3 293.499 2.891 20 0 CFADHP CC(C)[NH+]1CCC(CCN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000873243564 642092049 /nfs/dbraw/zinc/09/20/49/642092049.db2.gz YJLIPYNPJNHOFA-DOTOQJQBSA-N 2 3 281.488 2.617 20 0 CFADHP C[C@@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CN(C)C ZINC000886613863 647068008 /nfs/dbraw/zinc/06/80/08/647068008.db2.gz GYMOTQHYUAAPGD-GTPINHCMSA-N 2 3 281.488 2.571 20 0 CFADHP [NH3+]CCC[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925516654 648194439 /nfs/dbraw/zinc/19/44/39/648194439.db2.gz DZHXQIFYVQQKDB-GOSISDBHSA-N 2 3 289.467 2.932 20 0 CFADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808385 648330009 /nfs/dbraw/zinc/33/00/09/648330009.db2.gz NHUHBIBEHPWWAH-IAGOWNOFSA-N 2 3 281.488 2.654 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000925824986 648334224 /nfs/dbraw/zinc/33/42/24/648334224.db2.gz XRIQKXFUHWIDIT-RZZCCWGQSA-N 2 3 293.499 2.891 20 0 CFADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371867 778795598 /nfs/dbraw/zinc/79/55/98/778795598.db2.gz NVQYBDOLMRFZCI-IRXDYDNUSA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371867 778795602 /nfs/dbraw/zinc/79/56/02/778795602.db2.gz NVQYBDOLMRFZCI-IRXDYDNUSA-N 2 3 293.499 2.620 20 0 CFADHP CCCCN(C)CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294978 778410499 /nfs/dbraw/zinc/41/04/99/778410499.db2.gz LXVPDVLCKFEEAZ-UHFFFAOYSA-N 2 3 269.477 2.571 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236567378 778878059 /nfs/dbraw/zinc/87/80/59/778878059.db2.gz UNVOVCBBZIZFAE-BFYDXBDKSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC1 ZINC001236567378 778878066 /nfs/dbraw/zinc/87/80/66/778878066.db2.gz UNVOVCBBZIZFAE-BFYDXBDKSA-N 2 3 279.472 2.501 20 0 CFADHP CC[C@H](N)C[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742793 778927603 /nfs/dbraw/zinc/92/76/03/778927603.db2.gz SJRUTCJPHKMVNW-ULQDDVLXSA-N 2 3 293.430 2.635 20 0 CFADHP CC[C@H](N)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742793 778927606 /nfs/dbraw/zinc/92/76/06/778927606.db2.gz SJRUTCJPHKMVNW-ULQDDVLXSA-N 2 3 293.430 2.635 20 0 CFADHP C(CN1CCC(CC2CC[NH2+]CC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC001236946642 778983713 /nfs/dbraw/zinc/98/37/13/778983713.db2.gz CXFCKCHAHGEMKE-SFHVURJKSA-N 2 3 293.499 2.620 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC1 ZINC000423161599 529883921 /nfs/dbraw/zinc/88/39/21/529883921.db2.gz JGCLWGJGXWEHKK-RCCFBDPRSA-N 2 3 293.499 2.761 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCCN1)C1CC1 ZINC000423161599 529883923 /nfs/dbraw/zinc/88/39/23/529883923.db2.gz JGCLWGJGXWEHKK-RCCFBDPRSA-N 2 3 293.499 2.761 20 0 CFADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722690 237138504 /nfs/dbraw/zinc/13/85/04/237138504.db2.gz YNMQUWBMKDCOQP-IAGOWNOFSA-N 2 3 281.488 2.750 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336823809 380694856 /nfs/dbraw/zinc/69/48/56/380694856.db2.gz RKHFXKXJCYPVMP-KRWDZBQOSA-N 2 3 281.488 2.525 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336823809 380694859 /nfs/dbraw/zinc/69/48/59/380694859.db2.gz RKHFXKXJCYPVMP-KRWDZBQOSA-N 2 3 281.488 2.525 20 0 CFADHP CC[NH+](CC)CCCC1CC[NH+](CC(C)(C)N)CC1 ZINC000346998990 380863564 /nfs/dbraw/zinc/86/35/64/380863564.db2.gz YDAGJHHYIREUEA-UHFFFAOYSA-N 2 3 269.477 2.558 20 0 CFADHP C[C@H](CC[NH2+][C@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000680353633 542310945 /nfs/dbraw/zinc/31/09/45/542310945.db2.gz IXSONCJQVACUQC-HZPDHXFCSA-N 2 3 281.488 2.571 20 0 CFADHP CC[NH2+]CCNC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423241713 383053062 /nfs/dbraw/zinc/05/30/62/383053062.db2.gz VGWBKQXMNVYOEN-UHFFFAOYSA-N 2 3 289.467 2.629 20 0 CFADHP CC[NH2+]CCNC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423241713 383053065 /nfs/dbraw/zinc/05/30/65/383053065.db2.gz VGWBKQXMNVYOEN-UHFFFAOYSA-N 2 3 289.467 2.629 20 0 CFADHP CN(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423031866 383020903 /nfs/dbraw/zinc/02/09/03/383020903.db2.gz DVMXPJLSOJRKKI-BRWVUGGUSA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540428 383111990 /nfs/dbraw/zinc/11/19/90/383111990.db2.gz YQMIMYYNTPPQND-QZTJIDSGSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540428 383111993 /nfs/dbraw/zinc/11/19/93/383111993.db2.gz YQMIMYYNTPPQND-QZTJIDSGSA-N 2 3 289.467 2.886 20 0 CFADHP C[N@H+](CCCC[NH2+]C1CCN(C(C)(C)C)CC1)C1CC1 ZINC000453421015 394401444 /nfs/dbraw/zinc/40/14/44/394401444.db2.gz ZZRYWOFZLCFSKI-UHFFFAOYSA-N 2 3 281.488 2.713 20 0 CFADHP C[N@@H+](CCCC[NH2+]C1CCN(C(C)(C)C)CC1)C1CC1 ZINC000453421015 394401446 /nfs/dbraw/zinc/40/14/46/394401446.db2.gz ZZRYWOFZLCFSKI-UHFFFAOYSA-N 2 3 281.488 2.713 20 0 CFADHP CC1CC[NH+](C2CCC(N[C@H]3C[NH2+]C[C@@H](C)C3)CC2)CC1 ZINC000647550886 395389368 /nfs/dbraw/zinc/38/93/68/395389368.db2.gz MXAGSMJGEFALNN-PBHCIXSXSA-N 2 3 293.499 2.617 20 0 CFADHP [NH3+]CCCN(CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000647944117 395463090 /nfs/dbraw/zinc/46/30/90/395463090.db2.gz OBHWNTHDHNZJIA-UHFFFAOYSA-N 2 3 289.467 2.617 20 0 CFADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713306 397865131 /nfs/dbraw/zinc/86/51/31/397865131.db2.gz NOOUFICFJDYBRD-RDJZCZTQSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2(C[NH3+])CC2)CC1 ZINC000650713306 397865133 /nfs/dbraw/zinc/86/51/33/397865133.db2.gz NOOUFICFJDYBRD-RDJZCZTQSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878032 287022541 /nfs/dbraw/zinc/02/25/41/287022541.db2.gz IRTDOWJXQWZOCL-BRWVUGGUSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878032 287022542 /nfs/dbraw/zinc/02/25/42/287022542.db2.gz IRTDOWJXQWZOCL-BRWVUGGUSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879787 278257335 /nfs/dbraw/zinc/25/73/35/278257335.db2.gz LESDPNCVAWXFSZ-IXDOHACOSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879787 278257338 /nfs/dbraw/zinc/25/73/38/278257338.db2.gz LESDPNCVAWXFSZ-IXDOHACOSA-N 2 3 281.488 2.761 20 0 CFADHP CC[NH+]1CCC(C[NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000924953260 619299832 /nfs/dbraw/zinc/29/98/32/619299832.db2.gz APEHEOLVILWTFB-UHFFFAOYSA-N 2 3 295.515 2.818 20 0 CFADHP CC(C)(C)N1CCC([NH2+]Cc2ccc(CC[NH3+])cc2)CC1 ZINC000841031899 631312582 /nfs/dbraw/zinc/31/25/82/631312582.db2.gz AOGJKLCURCDIHA-UHFFFAOYSA-N 2 3 289.467 2.540 20 0 CFADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231976 642085045 /nfs/dbraw/zinc/08/50/45/642085045.db2.gz HZSJTVOGYAUHCF-JQHSSLGASA-N 2 3 295.515 2.837 20 0 CFADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231976 642085051 /nfs/dbraw/zinc/08/50/51/642085051.db2.gz HZSJTVOGYAUHCF-JQHSSLGASA-N 2 3 295.515 2.837 20 0 CFADHP C1CC2(C1)NCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000925541375 648208315 /nfs/dbraw/zinc/20/83/15/648208315.db2.gz HWTVPTOSBQZFIL-OFLPRAFFSA-N 2 3 291.483 2.658 20 0 CFADHP CC1(C)[C@H]([NH2+]CCCCC[NH+]2CCCC2)[C@@H]2CCCN[C@@H]21 ZINC000925676399 648275357 /nfs/dbraw/zinc/27/53/57/648275357.db2.gz ITUVDXDCZBZQOI-BBWFWOEESA-N 2 3 293.499 2.619 20 0 CFADHP CC1(C)C[NH2+]CC[C@@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726814 648300118 /nfs/dbraw/zinc/30/01/18/648300118.db2.gz WLAAPEUQSVCMQI-IAGOWNOFSA-N 2 3 289.467 2.834 20 0 CFADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371864 778795231 /nfs/dbraw/zinc/79/52/31/778795231.db2.gz NVQYBDOLMRFZCI-IAGOWNOFSA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371864 778795238 /nfs/dbraw/zinc/79/52/38/778795238.db2.gz NVQYBDOLMRFZCI-IAGOWNOFSA-N 2 3 293.499 2.620 20 0 CFADHP CC[C@H](N)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001236191991 778731869 /nfs/dbraw/zinc/73/18/69/778731869.db2.gz FDNVFJKDRFYVNM-KRWDZBQOSA-N 2 3 281.488 2.558 20 0 CFADHP [NH3+]C12CC(CC[N@H+](Cc3ccccc3)C3CCNCC3)(C1)C2 ZINC001236288256 778761947 /nfs/dbraw/zinc/76/19/47/778761947.db2.gz YDFWKOFUKSSSNK-UHFFFAOYSA-N 2 3 299.462 2.512 20 0 CFADHP [NH3+]C12CC(CC[N@@H+](Cc3ccccc3)C3CCNCC3)(C1)C2 ZINC001236288256 778761952 /nfs/dbraw/zinc/76/19/52/778761952.db2.gz YDFWKOFUKSSSNK-UHFFFAOYSA-N 2 3 299.462 2.512 20 0 CFADHP [NH3+]CCCCCC[N@H+](Cc1ccccc1)C1CCNCC1 ZINC001236286707 778762062 /nfs/dbraw/zinc/76/20/62/778762062.db2.gz NVXMUPOVSZQVDT-UHFFFAOYSA-N 2 3 289.467 2.760 20 0 CFADHP [NH3+]CCCCCC[N@@H+](Cc1ccccc1)C1CCNCC1 ZINC001236286707 778762065 /nfs/dbraw/zinc/76/20/65/778762065.db2.gz NVXMUPOVSZQVDT-UHFFFAOYSA-N 2 3 289.467 2.760 20 0 CFADHP [NH3+]CCCCCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001236286707 778762068 /nfs/dbraw/zinc/76/20/68/778762068.db2.gz NVXMUPOVSZQVDT-UHFFFAOYSA-N 2 3 289.467 2.760 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093210234 347665516 /nfs/dbraw/zinc/66/55/16/347665516.db2.gz LJHNLBVAVXVAKE-ZWKOTPCHSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000414826696 233367664 /nfs/dbraw/zinc/36/76/64/233367664.db2.gz GAVRLADYKJXTGG-NUJGCVRESA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H](C[C@H](C)N)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902024 237322977 /nfs/dbraw/zinc/32/29/77/237322977.db2.gz MHXSKLUGJMWFDD-JKSUJKDBSA-N 2 3 289.467 2.614 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000127698807 377298515 /nfs/dbraw/zinc/29/85/15/377298515.db2.gz FMZNNOLZLIKKLO-YESZJQIVSA-N 2 3 281.488 2.713 20 0 CFADHP CC(C)C[C@@H]([NH3+])CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000415099236 381781376 /nfs/dbraw/zinc/78/13/76/381781376.db2.gz GMAUOOFFVRMFOM-WWDZGPRUSA-N 2 3 295.515 2.993 20 0 CFADHP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420324939 382369316 /nfs/dbraw/zinc/36/93/16/382369316.db2.gz VXEYQGZWEXOJFI-MSOLQXFVSA-N 2 3 293.499 2.574 20 0 CFADHP C[C@@H]1CCNCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723189 382976752 /nfs/dbraw/zinc/97/67/52/382976752.db2.gz ZUUZUFJWHSKWJB-SJORKVTESA-N 2 3 281.488 2.620 20 0 CFADHP C[C@H](C[C@H](C)N)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969623 382989206 /nfs/dbraw/zinc/98/92/06/382989206.db2.gz UXTRFVDJEXQVJH-NJINODPHSA-N 2 3 281.488 2.745 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540427 383112059 /nfs/dbraw/zinc/11/20/59/383112059.db2.gz YQMIMYYNTPPQND-MSOLQXFVSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000584540427 383112061 /nfs/dbraw/zinc/11/20/61/383112061.db2.gz YQMIMYYNTPPQND-MSOLQXFVSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@H+](C)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000531614372 383898016 /nfs/dbraw/zinc/89/80/16/383898016.db2.gz QUARFEIDWXTBER-GOSISDBHSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[N@@H+](C)CC1CCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000531614372 383898023 /nfs/dbraw/zinc/89/80/23/383898023.db2.gz QUARFEIDWXTBER-GOSISDBHSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000531614372 383898028 /nfs/dbraw/zinc/89/80/28/383898028.db2.gz QUARFEIDWXTBER-GOSISDBHSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000531614372 383898034 /nfs/dbraw/zinc/89/80/34/383898034.db2.gz QUARFEIDWXTBER-GOSISDBHSA-N 2 3 295.515 2.913 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000415039356 393810350 /nfs/dbraw/zinc/81/03/50/393810350.db2.gz NXZVBMWBBYQTTE-FZCLSBEQSA-N 2 3 293.499 2.747 20 0 CFADHP CC1CC[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166174288 542958725 /nfs/dbraw/zinc/95/87/25/542958725.db2.gz KTKUKJFDOXKEBP-QZTJIDSGSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166174288 542958727 /nfs/dbraw/zinc/95/87/27/542958727.db2.gz KTKUKJFDOXKEBP-QZTJIDSGSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166174288 542958729 /nfs/dbraw/zinc/95/87/29/542958729.db2.gz KTKUKJFDOXKEBP-QZTJIDSGSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H](N)C3)CC2)CC1 ZINC000582915922 325245911 /nfs/dbraw/zinc/24/59/11/325245911.db2.gz JCXUEUGPFDQCJV-RZZCCWGQSA-N 2 3 293.499 2.889 20 0 CFADHP C[NH+](C)CCCC[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000360859613 524052921 /nfs/dbraw/zinc/05/29/21/524052921.db2.gz NVZOXGOXUHQZIL-UHFFFAOYSA-N 2 3 281.488 2.715 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@@H]2C)CC1 ZINC000422829398 527724904 /nfs/dbraw/zinc/72/49/04/527724904.db2.gz BYGRAWCQYAUYPU-WMZOPIPTSA-N 2 3 295.515 2.722 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422838537 527725568 /nfs/dbraw/zinc/72/55/68/527725568.db2.gz OSDQPMAYSWOFCD-ZWKOTPCHSA-N 2 3 295.515 2.852 20 0 CFADHP CC(C)N1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414809419 529001292 /nfs/dbraw/zinc/00/12/92/529001292.db2.gz MJTDVMIHBRBRMM-AWEZNQCLSA-N 2 3 275.440 2.669 20 0 CFADHP C[NH+]1CCC(C[NH2+]C2CCN(CC3CCCC3)CC2)CC1 ZINC000892751337 618739879 /nfs/dbraw/zinc/73/98/79/618739879.db2.gz SXHMGFRYZMWHSB-UHFFFAOYSA-N 2 3 293.499 2.572 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925701322 618954602 /nfs/dbraw/zinc/95/46/02/618954602.db2.gz XQAKXBNTBXDNKW-JOCBIADPSA-N 2 3 293.499 2.509 20 0 CFADHP CC(C)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488537 619030100 /nfs/dbraw/zinc/03/01/00/619030100.db2.gz HHCHMZFDGVRVFL-OKZBNKHCSA-N 2 3 293.499 2.760 20 0 CFADHP C[NH+]1CCC2(CC1)CC[NH+](CCCN1CCCCC1)CC2 ZINC000879250006 644195206 /nfs/dbraw/zinc/19/52/06/644195206.db2.gz JOZZUNQRKVRJIC-UHFFFAOYSA-N 2 3 293.499 2.670 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925552099 648213362 /nfs/dbraw/zinc/21/33/62/648213362.db2.gz GXDVHPNPHUJSOP-CVEARBPZSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925552099 648213368 /nfs/dbraw/zinc/21/33/68/648213368.db2.gz GXDVHPNPHUJSOP-CVEARBPZSA-N 2 3 279.472 2.515 20 0 CFADHP CC[C@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861138 648348129 /nfs/dbraw/zinc/34/81/29/648348129.db2.gz MWFYQEZLQGEANS-YZUHTNEWSA-N 2 3 279.472 2.514 20 0 CFADHP [NH3+]CCCCCC[N@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373881 778795978 /nfs/dbraw/zinc/79/59/78/778795978.db2.gz MPMMFVHHPPPDAK-MRXNPFEDSA-N 2 3 281.488 2.750 20 0 CFADHP [NH3+]CCCCCC[N@@H+](C[C@@H]1CCCNC1)C1CCCC1 ZINC001236373881 778795986 /nfs/dbraw/zinc/79/59/86/778795986.db2.gz MPMMFVHHPPPDAK-MRXNPFEDSA-N 2 3 281.488 2.750 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093210238 347665274 /nfs/dbraw/zinc/66/52/74/347665274.db2.gz LJHNLBVAVXVAKE-MSOLQXFVSA-N 2 3 289.467 2.888 20 0 CFADHP C[NH+]1CCC(C[NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000126167347 377217584 /nfs/dbraw/zinc/21/75/84/377217584.db2.gz PCQJSLRILVQQKY-UHFFFAOYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753120 383722653 /nfs/dbraw/zinc/72/26/53/383722653.db2.gz YXSBBXGDGFWCRY-QAPCUYQASA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910799 382988307 /nfs/dbraw/zinc/98/83/07/382988307.db2.gz JIDGCVYGWNMJTR-ROUUACIJSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910799 382988310 /nfs/dbraw/zinc/98/83/10/382988310.db2.gz JIDGCVYGWNMJTR-ROUUACIJSA-N 2 3 289.467 2.744 20 0 CFADHP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000634998656 383453873 /nfs/dbraw/zinc/45/38/73/383453873.db2.gz JDLDLSVHCAXERK-IAGOWNOFSA-N 2 3 293.499 2.715 20 0 CFADHP C(CC1CC[NH2+]CC1)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000649413855 395489194 /nfs/dbraw/zinc/48/91/94/395489194.db2.gz NEUITJCJFJFGBB-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000649413855 395489196 /nfs/dbraw/zinc/48/91/96/395489196.db2.gz NEUITJCJFJFGBB-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000649413855 395489198 /nfs/dbraw/zinc/48/91/98/395489198.db2.gz NEUITJCJFJFGBB-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713307 397864593 /nfs/dbraw/zinc/86/45/93/397864593.db2.gz NOOUFICFJDYBRD-WBVHZDCISA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC2(C[NH3+])CC2)CC1 ZINC000650713307 397864596 /nfs/dbraw/zinc/86/45/96/397864596.db2.gz NOOUFICFJDYBRD-WBVHZDCISA-N 2 3 293.499 2.748 20 0 CFADHP N[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311046 270367906 /nfs/dbraw/zinc/36/79/06/270367906.db2.gz AQUKCGDWZDTHCN-JKSUJKDBSA-N 2 3 267.461 2.502 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147879 276334825 /nfs/dbraw/zinc/33/48/25/276334825.db2.gz FKRNUJHAKKCIQN-ROUUACIJSA-N 2 3 289.467 2.745 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735150 527847333 /nfs/dbraw/zinc/84/73/33/527847333.db2.gz DKQGFZAEQQIMSQ-MAUKXSAKSA-N 2 3 289.467 2.616 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735150 527847337 /nfs/dbraw/zinc/84/73/37/527847337.db2.gz DKQGFZAEQQIMSQ-MAUKXSAKSA-N 2 3 289.467 2.616 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422690032 528195509 /nfs/dbraw/zinc/19/55/09/528195509.db2.gz GBPIMDLHSSMTAE-LSDHHAIUSA-N 2 3 277.456 2.744 20 0 CFADHP CCCN1CCC([NH2+]Cc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414802386 528204710 /nfs/dbraw/zinc/20/47/10/528204710.db2.gz BIJAQHNPITUXQL-AWEZNQCLSA-N 2 3 275.440 2.670 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000422878436 528237861 /nfs/dbraw/zinc/23/78/61/528237861.db2.gz JDMDMDJVTRJOIU-DLBZAZTESA-N 2 3 281.488 2.606 20 0 CFADHP CC(C)CCN1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000926113322 618111121 /nfs/dbraw/zinc/11/11/21/618111121.db2.gz FILPBPOXVCJYLP-UHFFFAOYSA-N 2 3 295.515 2.818 20 0 CFADHP CCC[N@H+](C)C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325698 626466845 /nfs/dbraw/zinc/46/68/45/626466845.db2.gz GBTIGDKBWSKICT-XFYFCPPXSA-N 2 3 293.499 2.571 20 0 CFADHP CCC[N@@H+](C)C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325698 626466846 /nfs/dbraw/zinc/46/68/46/626466846.db2.gz GBTIGDKBWSKICT-XFYFCPPXSA-N 2 3 293.499 2.571 20 0 CFADHP CCCN(C)C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325698 626466847 /nfs/dbraw/zinc/46/68/47/626466847.db2.gz GBTIGDKBWSKICT-XFYFCPPXSA-N 2 3 293.499 2.571 20 0 CFADHP CCCN(C)C[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325698 626466848 /nfs/dbraw/zinc/46/68/48/626466848.db2.gz GBTIGDKBWSKICT-XFYFCPPXSA-N 2 3 293.499 2.571 20 0 CFADHP CC1CC[NH+](C[C@H]2CCCN(CCCCCC[NH3+])C2)CC1 ZINC000846222191 632667573 /nfs/dbraw/zinc/66/75/73/632667573.db2.gz SQJLYWCZXHYNEL-SFHVURJKSA-N 2 3 295.515 2.949 20 0 CFADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927810 632738962 /nfs/dbraw/zinc/73/89/62/632738962.db2.gz MSVMGTJGPQNOCO-XYJFISCASA-N 2 3 289.467 2.614 20 0 CFADHP C[C@H](CN[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479647 648180339 /nfs/dbraw/zinc/18/03/39/648180339.db2.gz JEHAJQNOAQGSBG-AEFFLSMTSA-N 2 3 289.467 2.788 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504960 648188647 /nfs/dbraw/zinc/18/86/47/648188647.db2.gz OUZQWGKSHCBSBZ-ILXRZTDVSA-N 2 3 283.504 2.848 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000925824984 648334684 /nfs/dbraw/zinc/33/46/84/648334684.db2.gz XRIQKXFUHWIDIT-NALMEZQBSA-N 2 3 293.499 2.891 20 0 CFADHP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429481 778486560 /nfs/dbraw/zinc/48/65/60/778486560.db2.gz UFSHNKBTGIUMPB-AEFFLSMTSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429481 778486567 /nfs/dbraw/zinc/48/65/67/778486567.db2.gz UFSHNKBTGIUMPB-AEFFLSMTSA-N 2 3 299.462 2.501 20 0 CFADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373565 778796484 /nfs/dbraw/zinc/79/64/84/778796484.db2.gz ZNTJVRXKWWCHSL-QGZVFWFLSA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373565 778796486 /nfs/dbraw/zinc/79/64/86/778796486.db2.gz ZNTJVRXKWWCHSL-QGZVFWFLSA-N 2 3 293.499 2.620 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)C2CCC2)CC1 ZINC001236572081 778879856 /nfs/dbraw/zinc/87/98/56/778879856.db2.gz LYZKXRVRPNZXQP-ZOBUZTSGSA-N 2 3 279.472 2.643 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)C2CCC2)CC1 ZINC001236572081 778879861 /nfs/dbraw/zinc/87/98/61/778879861.db2.gz LYZKXRVRPNZXQP-ZOBUZTSGSA-N 2 3 279.472 2.643 20 0 CFADHP N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795396 237219375 /nfs/dbraw/zinc/21/93/75/237219375.db2.gz VKPVLSGKHZAKFC-QZTJIDSGSA-N 2 3 287.451 2.642 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422883777 237306535 /nfs/dbraw/zinc/30/65/35/237306535.db2.gz RBQKBFNVFJWQTN-IKGGRYGDSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422883777 237306540 /nfs/dbraw/zinc/30/65/40/237306540.db2.gz RBQKBFNVFJWQTN-IKGGRYGDSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422887452 237308262 /nfs/dbraw/zinc/30/82/62/237308262.db2.gz YSTRZZCHJFNWJV-BRWVUGGUSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422887452 237308268 /nfs/dbraw/zinc/30/82/68/237308268.db2.gz YSTRZZCHJFNWJV-BRWVUGGUSA-N 2 3 281.488 2.619 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147877 374875035 /nfs/dbraw/zinc/87/50/35/374875035.db2.gz FKRNUJHAKKCIQN-MSOLQXFVSA-N 2 3 289.467 2.745 20 0 CFADHP CCC[NH+]1CCC(N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415058663 381744001 /nfs/dbraw/zinc/74/40/01/381744001.db2.gz UHVWYYKZHJBLJL-GOSISDBHSA-N 2 3 289.467 2.931 20 0 CFADHP CC(C)C[C@H]([NH3+])CNC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000415099234 381781566 /nfs/dbraw/zinc/78/15/66/381781566.db2.gz GMAUOOFFVRMFOM-AOCRQIFASA-N 2 3 295.515 2.993 20 0 CFADHP C[C@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000680353627 542311010 /nfs/dbraw/zinc/31/10/10/542311010.db2.gz IXSONCJQVACUQC-CVEARBPZSA-N 2 3 281.488 2.571 20 0 CFADHP C[N@H+](CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158799 383046604 /nfs/dbraw/zinc/04/66/04/383046604.db2.gz DJQKTBQDPVJANJ-DLBZAZTESA-N 2 3 273.424 2.595 20 0 CFADHP C[N@@H+](CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158799 383046608 /nfs/dbraw/zinc/04/66/08/383046608.db2.gz DJQKTBQDPVJANJ-DLBZAZTESA-N 2 3 273.424 2.595 20 0 CFADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497624 384663553 /nfs/dbraw/zinc/66/35/53/384663553.db2.gz JGIDXXXHPGNMIP-MAUKXSAKSA-N 2 3 293.499 2.619 20 0 CFADHP CCCN(CCC)CCC[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000163881485 542575590 /nfs/dbraw/zinc/57/55/90/542575590.db2.gz IIXUDVZPHDZOEE-MRXNPFEDSA-N 2 3 283.504 2.818 20 0 CFADHP NCCC[N@H+](CCCC1CC[NH2+]CC1)CC1CCCC1 ZINC000647966033 395469066 /nfs/dbraw/zinc/46/90/66/395469066.db2.gz VJIFFDWAEHKNTC-UHFFFAOYSA-N 2 3 281.488 2.607 20 0 CFADHP NCCC[N@@H+](CCCC1CC[NH2+]CC1)CC1CCCC1 ZINC000647966033 395469068 /nfs/dbraw/zinc/46/90/68/395469068.db2.gz VJIFFDWAEHKNTC-UHFFFAOYSA-N 2 3 281.488 2.607 20 0 CFADHP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422736812 276075746 /nfs/dbraw/zinc/07/57/46/276075746.db2.gz GVKHAIBWXLWYDF-ZWKOTPCHSA-N 2 3 289.467 2.888 20 0 CFADHP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2N)c1 ZINC000422736812 276075748 /nfs/dbraw/zinc/07/57/48/276075748.db2.gz GVKHAIBWXLWYDF-ZWKOTPCHSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@H](NCCCC[NH+]1CCC(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422874400 278257417 /nfs/dbraw/zinc/25/74/17/278257417.db2.gz CSUAEKMAQBPHIP-DLBZAZTESA-N 2 3 281.488 2.619 20 0 CFADHP CN(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423031873 289094330 /nfs/dbraw/zinc/09/43/30/289094330.db2.gz DVMXPJLSOJRKKI-YESZJQIVSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415027377 289463683 /nfs/dbraw/zinc/46/36/83/289463683.db2.gz WNUGYNCJIJELCX-INMHGKMJSA-N 2 3 281.488 2.747 20 0 CFADHP [NH3+]CCC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839921 619173456 /nfs/dbraw/zinc/17/34/56/619173456.db2.gz SMWCDZLXXBUFHM-RCCFBDPRSA-N 2 3 287.451 2.588 20 0 CFADHP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927808 632738600 /nfs/dbraw/zinc/73/86/00/632738600.db2.gz MSVMGTJGPQNOCO-JZXOWHBKSA-N 2 3 289.467 2.614 20 0 CFADHP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927809 632739004 /nfs/dbraw/zinc/73/90/04/632739004.db2.gz MSVMGTJGPQNOCO-LZLYRXPVSA-N 2 3 289.467 2.614 20 0 CFADHP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000817927807 632739066 /nfs/dbraw/zinc/73/90/66/632739066.db2.gz MSVMGTJGPQNOCO-BQFCYCMXSA-N 2 3 289.467 2.614 20 0 CFADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000873242171 642091530 /nfs/dbraw/zinc/09/15/30/642091530.db2.gz MNDOIBSRIKMOMD-DLBZAZTESA-N 2 3 281.488 2.604 20 0 CFADHP CCC1(N2CCC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000886860117 647162833 /nfs/dbraw/zinc/16/28/33/647162833.db2.gz RVCBWLHAVUCHSH-UHFFFAOYSA-N 2 3 293.499 2.717 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000925824985 648334292 /nfs/dbraw/zinc/33/42/92/648334292.db2.gz XRIQKXFUHWIDIT-PBHCIXSXSA-N 2 3 293.499 2.891 20 0 CFADHP CCCN1C[C@@H]2C[N@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840354 776598118 /nfs/dbraw/zinc/59/81/18/776598118.db2.gz FISRZRZIYLHSTG-KURKYZTESA-N 2 3 295.515 2.771 20 0 CFADHP CCCN1C[C@@H]2C[N@@H+]([C@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840354 776598124 /nfs/dbraw/zinc/59/81/24/776598124.db2.gz FISRZRZIYLHSTG-KURKYZTESA-N 2 3 295.515 2.771 20 0 CFADHP CCCN1C[C@@H]2C[NH+]([C@@H](C)CCC[NH+](CC)CC)C[C@H]2C1 ZINC001167840357 776598310 /nfs/dbraw/zinc/59/83/10/776598310.db2.gz FISRZRZIYLHSTG-RCCFBDPRSA-N 2 3 295.515 2.771 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000565430113 290301463 /nfs/dbraw/zinc/30/14/63/290301463.db2.gz CEUPZNFKEXNVBT-TWMKSMIVSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@@H](N)C2)C1 ZINC000565430113 290301466 /nfs/dbraw/zinc/30/14/66/290301466.db2.gz CEUPZNFKEXNVBT-TWMKSMIVSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000252434110 540435817 /nfs/dbraw/zinc/43/58/17/540435817.db2.gz DUVVIJXCJYJKPB-HZPDHXFCSA-N 2 3 281.488 2.571 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878035 299289457 /nfs/dbraw/zinc/28/94/57/299289457.db2.gz IRTDOWJXQWZOCL-IXDOHACOSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878035 299289459 /nfs/dbraw/zinc/28/94/59/299289459.db2.gz IRTDOWJXQWZOCL-IXDOHACOSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414827711 296329438 /nfs/dbraw/zinc/32/94/38/296329438.db2.gz HOSVXCRDCFMANX-NUJGCVRESA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@H]2CC[NH2+]C2)CC1 ZINC000414827711 296329441 /nfs/dbraw/zinc/32/94/41/296329441.db2.gz HOSVXCRDCFMANX-NUJGCVRESA-N 2 3 293.499 2.619 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000249933896 383367418 /nfs/dbraw/zinc/36/74/18/383367418.db2.gz FMZNNOLZLIKKLO-BBWFWOEESA-N 2 3 281.488 2.713 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)CC[C@H]1CCC[N@@H+]1C ZINC000640532196 383819003 /nfs/dbraw/zinc/81/90/03/383819003.db2.gz BIVWPNLBBOLDNA-QGZVFWFLSA-N 2 3 281.488 2.669 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)CC[C@H]1CCC[N@H+]1C ZINC000640532196 383819006 /nfs/dbraw/zinc/81/90/06/383819006.db2.gz BIVWPNLBBOLDNA-QGZVFWFLSA-N 2 3 281.488 2.669 20 0 CFADHP C[NH+](C)C1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335030157 393635117 /nfs/dbraw/zinc/63/51/17/393635117.db2.gz RFIUVCILWYINCN-YCUKKYJWSA-N 2 3 273.424 2.594 20 0 CFADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423165626 394271911 /nfs/dbraw/zinc/27/19/11/394271911.db2.gz BHPRQTVDWNGCAU-XMTFNYHQSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)C1 ZINC000423165626 394271912 /nfs/dbraw/zinc/27/19/12/394271912.db2.gz BHPRQTVDWNGCAU-XMTFNYHQSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713304 397864715 /nfs/dbraw/zinc/86/47/15/397864715.db2.gz NOOUFICFJDYBRD-DOTOQJQBSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC2(C[NH3+])CC2)CC1 ZINC000650713304 397864718 /nfs/dbraw/zinc/86/47/18/397864718.db2.gz NOOUFICFJDYBRD-DOTOQJQBSA-N 2 3 293.499 2.748 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841733 279122582 /nfs/dbraw/zinc/12/25/82/279122582.db2.gz WSWUAPFUIFGSRU-ZGRYLRDCSA-N 2 3 281.488 2.747 20 0 CFADHP [NH3+][C@@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226282 290285789 /nfs/dbraw/zinc/28/57/89/290285789.db2.gz LXXWHXXWNOVNAB-MSOLQXFVSA-N 2 3 287.451 2.642 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914664 528835501 /nfs/dbraw/zinc/83/55/01/528835501.db2.gz VJGWVCOYPSDEQY-HUUCEWRRSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914664 528835506 /nfs/dbraw/zinc/83/55/06/528835506.db2.gz VJGWVCOYPSDEQY-HUUCEWRRSA-N 2 3 277.456 2.742 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442727 621382512 /nfs/dbraw/zinc/38/25/12/621382512.db2.gz ZWLVECOVDKKRMZ-TVFCKZIOSA-N 2 3 293.499 2.700 20 0 CFADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442727 621382516 /nfs/dbraw/zinc/38/25/16/621382516.db2.gz ZWLVECOVDKKRMZ-TVFCKZIOSA-N 2 3 293.499 2.700 20 0 CFADHP CC(C)C[C@@H](N)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948773 621486295 /nfs/dbraw/zinc/48/62/95/621486295.db2.gz UKTXYLIRAOFJOZ-MRXNPFEDSA-N 2 3 269.477 2.558 20 0 CFADHP CC(C)C[C@@H](N)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948773 621486298 /nfs/dbraw/zinc/48/62/98/621486298.db2.gz UKTXYLIRAOFJOZ-MRXNPFEDSA-N 2 3 269.477 2.558 20 0 CFADHP NC[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901070 632723831 /nfs/dbraw/zinc/72/38/31/632723831.db2.gz SDABWZATZOJVRJ-BFWZDYSYSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156241 641677901 /nfs/dbraw/zinc/67/79/01/641677901.db2.gz GUURGYLHRWPSDR-XYJFISCASA-N 2 3 293.499 2.606 20 0 CFADHP C[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924525904 647987293 /nfs/dbraw/zinc/98/72/93/647987293.db2.gz HKHPITZNQJWSQN-HNNXBMFYSA-N 2 3 291.483 2.987 20 0 CFADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000925861639 648348148 /nfs/dbraw/zinc/34/81/48/648348148.db2.gz RKSGMKKDFHFKKQ-GYXIZQIFSA-N 2 3 279.472 2.501 20 0 CFADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000925861640 648348182 /nfs/dbraw/zinc/34/81/82/648348182.db2.gz RKSGMKKDFHFKKQ-KZYLPZIUSA-N 2 3 279.472 2.501 20 0 CFADHP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001167841078 776601099 /nfs/dbraw/zinc/60/10/99/776601099.db2.gz JZZYFCFNEFDYOK-MRXNPFEDSA-N 2 3 281.488 2.525 20 0 CFADHP C[N@@H+]1CCC[C@@H](CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369820 778794183 /nfs/dbraw/zinc/79/41/83/778794183.db2.gz DIWYNBHGHZOZCP-IAGOWNOFSA-N 2 3 293.499 2.572 20 0 CFADHP C[N@H+]1CCC[C@@H](CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369820 778794185 /nfs/dbraw/zinc/79/41/85/778794185.db2.gz DIWYNBHGHZOZCP-IAGOWNOFSA-N 2 3 293.499 2.572 20 0 CFADHP CCC(CC)[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782893 778933323 /nfs/dbraw/zinc/93/33/23/778933323.db2.gz MAFMMWAVORUUOQ-BFYDXBDKSA-N 2 3 281.488 2.747 20 0 CFADHP CCC(CC)[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782893 778933326 /nfs/dbraw/zinc/93/33/26/778933326.db2.gz MAFMMWAVORUUOQ-BFYDXBDKSA-N 2 3 281.488 2.747 20 0 CFADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423165627 530060805 /nfs/dbraw/zinc/06/08/05/530060805.db2.gz BHPRQTVDWNGCAU-ZJPYXAASSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)C1 ZINC000423165627 530060806 /nfs/dbraw/zinc/06/08/06/530060806.db2.gz BHPRQTVDWNGCAU-ZJPYXAASSA-N 2 3 293.499 2.619 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093210490 347665425 /nfs/dbraw/zinc/66/54/25/347665425.db2.gz QHNGELTWUDXHSG-MSOLQXFVSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069055 540283717 /nfs/dbraw/zinc/28/37/17/540283717.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069055 540283718 /nfs/dbraw/zinc/28/37/18/540283718.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069055 540283721 /nfs/dbraw/zinc/28/37/21/540283721.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339069055 540283724 /nfs/dbraw/zinc/28/37/24/540283724.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339069055 540283727 /nfs/dbraw/zinc/28/37/27/540283727.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)C1 ZINC000339069055 540283728 /nfs/dbraw/zinc/28/37/28/540283728.db2.gz QOYHYOSOOOXWTI-SQNIBIBYSA-N 2 3 293.499 2.715 20 0 CFADHP C(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595563 540377234 /nfs/dbraw/zinc/37/72/34/540377234.db2.gz QZYMDVQSZOWYBA-ZWKOTPCHSA-N 2 3 293.499 2.859 20 0 CFADHP C(CCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595563 540377236 /nfs/dbraw/zinc/37/72/36/540377236.db2.gz QZYMDVQSZOWYBA-ZWKOTPCHSA-N 2 3 293.499 2.859 20 0 CFADHP C(CC[NH2+][C@H]1CCN2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595563 540377240 /nfs/dbraw/zinc/37/72/40/540377240.db2.gz QZYMDVQSZOWYBA-ZWKOTPCHSA-N 2 3 293.499 2.859 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879789 299288815 /nfs/dbraw/zinc/28/88/15/299288815.db2.gz LESDPNCVAWXFSZ-YESZJQIVSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879789 299288817 /nfs/dbraw/zinc/28/88/17/299288817.db2.gz LESDPNCVAWXFSZ-YESZJQIVSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878034 299289055 /nfs/dbraw/zinc/28/90/55/299289055.db2.gz IRTDOWJXQWZOCL-IKGGRYGDSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878034 299289059 /nfs/dbraw/zinc/28/90/59/299289059.db2.gz IRTDOWJXQWZOCL-IKGGRYGDSA-N 2 3 281.488 2.619 20 0 CFADHP CCCC[N@H+](C)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089425589 374903417 /nfs/dbraw/zinc/90/34/17/374903417.db2.gz FUWDZMXHAANSJH-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[N@@H+](C)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000089425589 374903422 /nfs/dbraw/zinc/90/34/22/374903422.db2.gz FUWDZMXHAANSJH-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[NH+](C)CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000089425589 374903425 /nfs/dbraw/zinc/90/34/25/374903425.db2.gz FUWDZMXHAANSJH-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[NH+](C)CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000089425589 374903433 /nfs/dbraw/zinc/90/34/33/374903433.db2.gz FUWDZMXHAANSJH-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CC(C)CN1CCC[C@@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000678602720 542050759 /nfs/dbraw/zinc/05/07/59/542050759.db2.gz FMFRGPWCHHVJTL-SJORKVTESA-N 2 3 295.515 2.674 20 0 CFADHP CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841485 382984366 /nfs/dbraw/zinc/98/43/66/382984366.db2.gz VZYRRGXVYQOBPO-FPQWYMTMSA-N 2 3 295.515 2.994 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878033 382985580 /nfs/dbraw/zinc/98/55/80/382985580.db2.gz IRTDOWJXQWZOCL-GVDBMIGSSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878033 382985583 /nfs/dbraw/zinc/98/55/83/382985583.db2.gz IRTDOWJXQWZOCL-GVDBMIGSSA-N 2 3 281.488 2.619 20 0 CFADHP [NH3+][C@@H]1C[C@@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084470 383041268 /nfs/dbraw/zinc/04/12/68/383041268.db2.gz IARBTKCPPLIDEN-QZTJIDSGSA-N 2 3 285.435 2.595 20 0 CFADHP CCN(CC)CCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000191818540 393607479 /nfs/dbraw/zinc/60/74/79/393607479.db2.gz FITARBYPMPZECA-UHFFFAOYSA-N 2 3 283.504 2.772 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422914665 394258504 /nfs/dbraw/zinc/25/85/04/394258504.db2.gz VJGWVCOYPSDEQY-LSDHHAIUSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H](C)C[C@H](C)[NH3+])c1 ZINC000422914665 394258507 /nfs/dbraw/zinc/25/85/07/394258507.db2.gz VJGWVCOYPSDEQY-LSDHHAIUSA-N 2 3 277.456 2.742 20 0 CFADHP C(CC1CC[NH2+]CC1)CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000649413861 395489057 /nfs/dbraw/zinc/48/90/57/395489057.db2.gz NTRUCTXDDUJRBU-GOSISDBHSA-N 2 3 293.499 2.717 20 0 CFADHP CC[NH+]1CCC(CCN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422790401 276148758 /nfs/dbraw/zinc/14/87/58/276148758.db2.gz UARHVUBLMPHQSA-QZTJIDSGSA-N 2 3 287.451 2.843 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000415027344 298398084 /nfs/dbraw/zinc/39/80/84/298398084.db2.gz WHNULYYPPSMRKW-INMHGKMJSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000576598115 324636910 /nfs/dbraw/zinc/63/69/10/324636910.db2.gz FWAANSDXCSLGCH-SJORKVTESA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888075 533798422 /nfs/dbraw/zinc/79/84/22/533798422.db2.gz ZZZVCMRHZRACFK-FVGDGBDSSA-N 2 3 293.499 2.617 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888075 533798436 /nfs/dbraw/zinc/79/84/36/533798436.db2.gz ZZZVCMRHZRACFK-FVGDGBDSSA-N 2 3 293.499 2.617 20 0 CFADHP C[C@H](CN)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423316299 534048233 /nfs/dbraw/zinc/04/82/33/534048233.db2.gz ZXUDPHBUJVIIQX-FAEJEUNOSA-N 2 3 289.467 2.614 20 0 CFADHP C[C@H](CN)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423316299 534048240 /nfs/dbraw/zinc/04/82/40/534048240.db2.gz ZXUDPHBUJVIIQX-FAEJEUNOSA-N 2 3 289.467 2.614 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784821 528191445 /nfs/dbraw/zinc/19/14/45/528191445.db2.gz MJPPUPRYHSOVIO-GJZGRUSLSA-N 2 3 277.456 2.744 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910797 528834463 /nfs/dbraw/zinc/83/44/63/528834463.db2.gz JIDGCVYGWNMJTR-MSOLQXFVSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910797 528834465 /nfs/dbraw/zinc/83/44/65/528834465.db2.gz JIDGCVYGWNMJTR-MSOLQXFVSA-N 2 3 289.467 2.744 20 0 CFADHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000893489561 619016435 /nfs/dbraw/zinc/01/64/35/619016435.db2.gz ZCUDRDZCFBVZTN-DOTOQJQBSA-N 2 3 293.499 2.571 20 0 CFADHP CCCC[N@H+](C)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734396 621434009 /nfs/dbraw/zinc/43/40/09/621434009.db2.gz YWQDVWXUCAVSDF-SFHVURJKSA-N 2 3 295.515 2.820 20 0 CFADHP CCCC[N@@H+](C)CC1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903734396 621434012 /nfs/dbraw/zinc/43/40/12/621434012.db2.gz YWQDVWXUCAVSDF-SFHVURJKSA-N 2 3 295.515 2.820 20 0 CFADHP CC[NH+](CC)C[C@@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327236 626466840 /nfs/dbraw/zinc/46/68/40/626466840.db2.gz QVKUJKWSZJFANE-XFYFCPPXSA-N 2 3 293.499 2.571 20 0 CFADHP C[NH+](C)C1(C)CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873248140 642094538 /nfs/dbraw/zinc/09/45/38/642094538.db2.gz AEORLUZEZJTNNS-NBIFXARBSA-N 2 3 287.451 2.984 20 0 CFADHP C[C@H](C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)CN(C)C ZINC000886613864 647067751 /nfs/dbraw/zinc/06/77/51/647067751.db2.gz GYMOTQHYUAAPGD-KLAILNCOSA-N 2 3 281.488 2.571 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504961 648188880 /nfs/dbraw/zinc/18/88/80/648188880.db2.gz OUZQWGKSHCBSBZ-KFWWJZLASA-N 2 3 283.504 2.848 20 0 CFADHP C[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925820464 648333717 /nfs/dbraw/zinc/33/37/17/648333717.db2.gz CSZIEKUDGBUVKR-PBHCIXSXSA-N 2 3 293.499 2.904 20 0 CFADHP [NH3+]CCC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccccc1 ZINC000925839920 648340354 /nfs/dbraw/zinc/34/03/54/648340354.db2.gz SMWCDZLXXBUFHM-KZNAEPCWSA-N 2 3 287.451 2.588 20 0 CFADHP CN(C)CC(C)(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371899 778795555 /nfs/dbraw/zinc/79/55/55/778795555.db2.gz ODBORPPCULSMRZ-MRXNPFEDSA-N 2 3 295.515 2.818 20 0 CFADHP CN(C)CC(C)(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371899 778795557 /nfs/dbraw/zinc/79/55/57/778795557.db2.gz ODBORPPCULSMRZ-MRXNPFEDSA-N 2 3 295.515 2.818 20 0 CFADHP c1cc(C[N@@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1CNC2 ZINC001235156305 778399031 /nfs/dbraw/zinc/39/90/31/778399031.db2.gz FVLPPKCAUKQWCA-LJQANCHMSA-N 2 3 299.462 2.644 20 0 CFADHP c1cc(C[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)cc2c1CNC2 ZINC001235156305 778399036 /nfs/dbraw/zinc/39/90/36/778399036.db2.gz FVLPPKCAUKQWCA-LJQANCHMSA-N 2 3 299.462 2.644 20 0 CFADHP CC(C)(C)C[N@H+](Cc1cccc(C[NH3+])c1)C1CCNCC1 ZINC001236459608 778834198 /nfs/dbraw/zinc/83/41/98/778834198.db2.gz VYLLLGKDEMLHSH-UHFFFAOYSA-N 2 3 289.467 2.745 20 0 CFADHP CC(C)(C)C[N@@H+](Cc1cccc(C[NH3+])c1)C1CCNCC1 ZINC001236459608 778834207 /nfs/dbraw/zinc/83/42/07/778834207.db2.gz VYLLLGKDEMLHSH-UHFFFAOYSA-N 2 3 289.467 2.745 20 0 CFADHP CC(C)C[N@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550823 778875469 /nfs/dbraw/zinc/87/54/69/778875469.db2.gz NCNBEDGJYLALAM-BRWVUGGUSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)C[N@@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236550823 778875478 /nfs/dbraw/zinc/87/54/78/778875478.db2.gz NCNBEDGJYLALAM-BRWVUGGUSA-N 2 3 281.488 2.747 20 0 CFADHP CCC(CC)[N@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782894 778933888 /nfs/dbraw/zinc/93/38/88/778933888.db2.gz MAFMMWAVORUUOQ-ZOBUZTSGSA-N 2 3 281.488 2.747 20 0 CFADHP CCC(CC)[N@@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236782894 778933891 /nfs/dbraw/zinc/93/38/91/778933891.db2.gz MAFMMWAVORUUOQ-ZOBUZTSGSA-N 2 3 281.488 2.747 20 0 CFADHP C(CN1CCC(CC2CC[NH2+]CC2)CC1)[C@H]1CCCC[NH2+]1 ZINC001236946639 778983485 /nfs/dbraw/zinc/98/34/85/778983485.db2.gz CXFCKCHAHGEMKE-GOSISDBHSA-N 2 3 293.499 2.620 20 0 CFADHP C[C@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000123725954 539505370 /nfs/dbraw/zinc/50/53/70/539505370.db2.gz SHYUAAQDXXVGRV-HNNXBMFYSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000250319024 348286934 /nfs/dbraw/zinc/28/69/34/348286934.db2.gz MWHIJJHTUXBARQ-RCCFBDPRSA-N 2 3 293.499 2.619 20 0 CFADHP CN1CC[C@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000623347998 353621225 /nfs/dbraw/zinc/62/12/25/353621225.db2.gz ODSOSLJWSNEWGW-KRWDZBQOSA-N 2 3 289.467 2.711 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878037 299289151 /nfs/dbraw/zinc/28/91/51/299289151.db2.gz IRTDOWJXQWZOCL-YESZJQIVSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@H]1CCCC[NH2+]1 ZINC000422878037 299289155 /nfs/dbraw/zinc/28/91/55/299289155.db2.gz IRTDOWJXQWZOCL-YESZJQIVSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](C[C@H](C)[NH3+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782298 237202065 /nfs/dbraw/zinc/20/20/65/237202065.db2.gz GGHYYNQAWXJIEM-JKSUJKDBSA-N 2 3 289.467 2.888 20 0 CFADHP C(CC1CCN(C[C@@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000347004409 380871778 /nfs/dbraw/zinc/87/17/78/380871778.db2.gz NRIAZJBIGXRBLD-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH+](C[C@@H]2CCCNC2)CC1)C[NH+]1CCCC1 ZINC000347004409 380871790 /nfs/dbraw/zinc/87/17/90/380871790.db2.gz NRIAZJBIGXRBLD-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP CC(C)[NH+]1CCC(N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415056664 381742498 /nfs/dbraw/zinc/74/24/98/381742498.db2.gz QCYASUFHSIQPMT-SFHVURJKSA-N 2 3 289.467 2.929 20 0 CFADHP C[C@@H]([NH2+]CC[C@H](C)N1CCCCC1)C1CC[NH+](C)CC1 ZINC000680353635 542310845 /nfs/dbraw/zinc/31/08/45/542310845.db2.gz IXSONCJQVACUQC-JKSUJKDBSA-N 2 3 281.488 2.571 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248352 383381740 /nfs/dbraw/zinc/38/17/40/383381740.db2.gz OIKLSCBGLAAJTK-ZWKOTPCHSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568248352 383381746 /nfs/dbraw/zinc/38/17/46/383381746.db2.gz OIKLSCBGLAAJTK-ZWKOTPCHSA-N 2 3 289.467 2.886 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166172782 542958764 /nfs/dbraw/zinc/95/87/64/542958764.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000166172782 542958765 /nfs/dbraw/zinc/95/87/65/542958765.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166172782 542958768 /nfs/dbraw/zinc/95/87/68/542958768.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166172782 542958772 /nfs/dbraw/zinc/95/87/72/542958772.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166172782 542958774 /nfs/dbraw/zinc/95/87/74/542958774.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000166172782 542958777 /nfs/dbraw/zinc/95/87/77/542958777.db2.gz WRRWOMURTXFWPI-KZNAEPCWSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650713305 397864987 /nfs/dbraw/zinc/86/49/87/397864987.db2.gz NOOUFICFJDYBRD-NVXWUHKLSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC2(C[NH3+])CC2)CC1 ZINC000650713305 397864989 /nfs/dbraw/zinc/86/49/89/397864989.db2.gz NOOUFICFJDYBRD-NVXWUHKLSA-N 2 3 293.499 2.748 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351548288 163146032 /nfs/dbraw/zinc/14/60/32/163146032.db2.gz QCHRWZXCNDRMQD-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351548288 163146033 /nfs/dbraw/zinc/14/60/33/163146033.db2.gz QCHRWZXCNDRMQD-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422887455 287267007 /nfs/dbraw/zinc/26/70/07/287267007.db2.gz YSTRZZCHJFNWJV-ZACQAIPSSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422887455 287267008 /nfs/dbraw/zinc/26/70/08/287267008.db2.gz YSTRZZCHJFNWJV-ZACQAIPSSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000415027343 289463768 /nfs/dbraw/zinc/46/37/68/289463768.db2.gz WHNULYYPPSMRKW-BFYDXBDKSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000565430119 290301289 /nfs/dbraw/zinc/30/12/89/290301289.db2.gz CEUPZNFKEXNVBT-YYIAUSFCSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H](N)C2)C1 ZINC000565430119 290301293 /nfs/dbraw/zinc/30/12/93/290301293.db2.gz CEUPZNFKEXNVBT-YYIAUSFCSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H](CN)C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423316303 533770114 /nfs/dbraw/zinc/77/01/14/533770114.db2.gz ZXUDPHBUJVIIQX-ZLPCBKJTSA-N 2 3 289.467 2.614 20 0 CFADHP C[C@@H](CN)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423316303 533770120 /nfs/dbraw/zinc/77/01/20/533770120.db2.gz ZXUDPHBUJVIIQX-ZLPCBKJTSA-N 2 3 289.467 2.614 20 0 CFADHP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414679257 528337910 /nfs/dbraw/zinc/33/79/10/528337910.db2.gz RRBVFLMDQNLKKQ-KRWDZBQOSA-N 2 3 283.504 2.804 20 0 CFADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414679257 528337914 /nfs/dbraw/zinc/33/79/14/528337914.db2.gz RRBVFLMDQNLKKQ-KRWDZBQOSA-N 2 3 283.504 2.804 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000925824987 619146561 /nfs/dbraw/zinc/14/65/61/619146561.db2.gz XRIQKXFUHWIDIT-ZLZJIPBDSA-N 2 3 293.499 2.891 20 0 CFADHP C[C@H]([NH3+])c1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918207 621478527 /nfs/dbraw/zinc/47/85/27/621478527.db2.gz VBNCEBXKIODZNP-AWEZNQCLSA-N 2 3 295.430 2.642 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000844221546 632137176 /nfs/dbraw/zinc/13/71/76/632137176.db2.gz PSRVQPJUDRFONK-QGZVFWFLSA-N 2 3 281.488 2.703 20 0 CFADHP [NH3+]CCCCCCC[N@@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000844221546 632137179 /nfs/dbraw/zinc/13/71/79/632137179.db2.gz PSRVQPJUDRFONK-QGZVFWFLSA-N 2 3 281.488 2.703 20 0 CFADHP [NH3+]CCCCCCC[N@H+]1CC[C@H](CN2CCCCC2)C1 ZINC000844221546 632137182 /nfs/dbraw/zinc/13/71/82/632137182.db2.gz PSRVQPJUDRFONK-QGZVFWFLSA-N 2 3 281.488 2.703 20 0 CFADHP NC[C@@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914653 632732264 /nfs/dbraw/zinc/73/22/64/632732264.db2.gz WZONVJJUWKRHCX-IRXDYDNUSA-N 2 3 281.488 2.750 20 0 CFADHP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528222 648201633 /nfs/dbraw/zinc/20/16/33/648201633.db2.gz ZULUIAIIILYEHF-DLBZAZTESA-N 2 3 289.467 2.744 20 0 CFADHP C[N@H+](CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925683926 648278323 /nfs/dbraw/zinc/27/83/23/648278323.db2.gz BETHWGPXKSCXHG-MSOLQXFVSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925683926 648278328 /nfs/dbraw/zinc/27/83/28/648278328.db2.gz BETHWGPXKSCXHG-MSOLQXFVSA-N 2 3 293.499 2.619 20 0 CFADHP CC1(C)C[NH2+]CC[C@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726815 648299828 /nfs/dbraw/zinc/29/98/28/648299828.db2.gz WLAAPEUQSVCMQI-IRXDYDNUSA-N 2 3 289.467 2.834 20 0 CFADHP C[NH+](C)C1CCC([N@H+](CCCN)C2CCCCC2)CC1 ZINC001168294662 778410728 /nfs/dbraw/zinc/41/07/28/778410728.db2.gz AKOGLWNMFQTGHI-UHFFFAOYSA-N 2 3 281.488 2.843 20 0 CFADHP C[NH+](C)C1CCC([N@@H+](CCCN)C2CCCCC2)CC1 ZINC001168294662 778410734 /nfs/dbraw/zinc/41/07/34/778410734.db2.gz AKOGLWNMFQTGHI-UHFFFAOYSA-N 2 3 281.488 2.843 20 0 CFADHP C[C@@H]1C[C@@H](C)CN(CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295255 778411817 /nfs/dbraw/zinc/41/18/17/778411817.db2.gz ZOYCYICZIMELKS-MRLCAUJQSA-N 2 3 295.515 2.817 20 0 CFADHP CC[C@@H]([NH3+])CN(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714925 778920046 /nfs/dbraw/zinc/92/00/46/778920046.db2.gz PMTUGHMFBJRNRC-KZNAEPCWSA-N 2 3 289.467 2.804 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCCN2)CC2CCCCC2)CC1 ZINC001236755830 778929580 /nfs/dbraw/zinc/92/95/80/778929580.db2.gz QZOSTGBHEMPKHJ-BZSNNMDCSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCN2)CC2CCCCC2)CC1 ZINC001236755830 778929583 /nfs/dbraw/zinc/92/95/83/778929583.db2.gz QZOSTGBHEMPKHJ-BZSNNMDCSA-N 2 3 293.499 2.891 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](N(C)C)C1 ZINC000715268756 779377948 /nfs/dbraw/zinc/37/79/48/779377948.db2.gz GPWLKGPMXHEKNB-YESZJQIVSA-N 2 3 283.504 2.959 20 0 CFADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831068 237255919 /nfs/dbraw/zinc/25/59/19/237255919.db2.gz SJEFTULOQKZLJK-ZIAGYGMSSA-N 2 3 295.496 2.676 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000089147876 284736562 /nfs/dbraw/zinc/73/65/62/284736562.db2.gz FKRNUJHAKKCIQN-QZTJIDSGSA-N 2 3 289.467 2.745 20 0 CFADHP C(C1CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000178980060 380498955 /nfs/dbraw/zinc/49/89/55/380498955.db2.gz UGBYOPCAYDIFAU-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP CC[NH+](CC)CCCC1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346991527 380854917 /nfs/dbraw/zinc/85/49/17/380854917.db2.gz SZYKPMHNNMFBKO-SFHVURJKSA-N 2 3 295.515 2.820 20 0 CFADHP CC[NH+](CC)CCCC1CC[NH+](C[C@H]2CCCNC2)CC1 ZINC000346991527 380854922 /nfs/dbraw/zinc/85/49/22/380854922.db2.gz SZYKPMHNNMFBKO-SFHVURJKSA-N 2 3 295.515 2.820 20 0 CFADHP C[NH+]1CCC(C)(C[NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000356847057 381868856 /nfs/dbraw/zinc/86/88/56/381868856.db2.gz NSQHINPTNZJRIB-UHFFFAOYSA-N 2 3 281.488 2.571 20 0 CFADHP [NH3+][C@@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626730 382865424 /nfs/dbraw/zinc/86/54/24/382865424.db2.gz QIXTZRCRGBAQSL-MSOLQXFVSA-N 2 3 287.451 2.642 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C2CCCC2)CC1 ZINC000422838666 382983612 /nfs/dbraw/zinc/98/36/12/382983612.db2.gz OUXILQPMHPJZSL-CQSZACIVSA-N 2 3 267.461 2.501 20 0 CFADHP CC(C)CC[NH+]1CCC(CN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839463 382983953 /nfs/dbraw/zinc/98/39/53/382983953.db2.gz QCRSIMGXQJQLGX-SJLPKXTDSA-N 2 3 295.515 2.865 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248351 383381455 /nfs/dbraw/zinc/38/14/55/383381455.db2.gz OIKLSCBGLAAJTK-ROUUACIJSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000568248351 383381460 /nfs/dbraw/zinc/38/14/60/383381460.db2.gz OIKLSCBGLAAJTK-ROUUACIJSA-N 2 3 289.467 2.886 20 0 CFADHP C[NH2+]C[C@@H](C)NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000665298517 414271892 /nfs/dbraw/zinc/27/18/92/414271892.db2.gz XHNFHBRKLKLRSB-FAEJEUNOSA-N 2 3 289.467 2.627 20 0 CFADHP C[NH2+]C[C@@H](C)NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000665298517 414271896 /nfs/dbraw/zinc/27/18/96/414271896.db2.gz XHNFHBRKLKLRSB-FAEJEUNOSA-N 2 3 289.467 2.627 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841730 279120705 /nfs/dbraw/zinc/12/07/05/279120705.db2.gz WSWUAPFUIFGSRU-OTBWCIGPSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000576598114 324636594 /nfs/dbraw/zinc/63/65/94/324636594.db2.gz FWAANSDXCSLGCH-IRXDYDNUSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000422831406 533868612 /nfs/dbraw/zinc/86/86/12/533868612.db2.gz SQDKYSMYLYOWDE-CQSZACIVSA-N 2 3 295.496 2.677 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738926 527849518 /nfs/dbraw/zinc/84/95/18/527849518.db2.gz KLIHLSMYKRIQBF-ROUUACIJSA-N 2 3 289.467 2.745 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738926 527849524 /nfs/dbraw/zinc/84/95/24/527849524.db2.gz KLIHLSMYKRIQBF-ROUUACIJSA-N 2 3 289.467 2.745 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422840622 528172878 /nfs/dbraw/zinc/17/28/78/528172878.db2.gz UFBNBCNFBXTNCT-HRCADAONSA-N 2 3 269.477 2.604 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H]3CN)CC2)CC1 ZINC000422966005 528228877 /nfs/dbraw/zinc/22/88/77/528228877.db2.gz MOHUGNDTVFSHBD-CPFNUKBASA-N 2 3 293.499 2.747 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422869248 528836884 /nfs/dbraw/zinc/83/68/84/528836884.db2.gz WZVXFJXOQZXRBE-LSDHHAIUSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)C[C@H](C)[NH3+] ZINC000422869248 528836887 /nfs/dbraw/zinc/83/68/87/528836887.db2.gz WZVXFJXOQZXRBE-LSDHHAIUSA-N 2 3 277.456 2.742 20 0 CFADHP C[NH+](C)CCCCCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784583 574120291 /nfs/dbraw/zinc/12/02/91/574120291.db2.gz HGCUFGDQEKUMJT-SJORKVTESA-N 2 3 281.488 2.715 20 0 CFADHP C[NH+](C)CCCCCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784583 574120294 /nfs/dbraw/zinc/12/02/94/574120294.db2.gz HGCUFGDQEKUMJT-SJORKVTESA-N 2 3 281.488 2.715 20 0 CFADHP C[NH+](C)CCCCCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000754784583 574120296 /nfs/dbraw/zinc/12/02/96/574120296.db2.gz HGCUFGDQEKUMJT-SJORKVTESA-N 2 3 281.488 2.715 20 0 CFADHP CCC[N@@H+]1CC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615301 618320807 /nfs/dbraw/zinc/32/08/07/618320807.db2.gz YUHZIJZLDMBELQ-WMZOPIPTSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@H+]1CC[C@@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615301 618320814 /nfs/dbraw/zinc/32/08/14/618320814.db2.gz YUHZIJZLDMBELQ-WMZOPIPTSA-N 2 3 289.467 2.788 20 0 CFADHP CCCN1CC[C@@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615301 618320822 /nfs/dbraw/zinc/32/08/22/618320822.db2.gz YUHZIJZLDMBELQ-WMZOPIPTSA-N 2 3 289.467 2.788 20 0 CFADHP CC(C)(C)[N@@H+]1CC[C@@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710928 618964455 /nfs/dbraw/zinc/96/44/55/618964455.db2.gz YGTOYDDDAWNEDW-IAGOWNOFSA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)(C)[N@H+]1CC[C@@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710928 618964458 /nfs/dbraw/zinc/96/44/58/618964458.db2.gz YGTOYDDDAWNEDW-IAGOWNOFSA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)(C)[N@@H+]1CC[C@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710932 618964526 /nfs/dbraw/zinc/96/45/26/618964526.db2.gz YGTOYDDDAWNEDW-IRXDYDNUSA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)(C)[N@H+]1CC[C@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710932 618964529 /nfs/dbraw/zinc/96/45/29/618964529.db2.gz YGTOYDDDAWNEDW-IRXDYDNUSA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488535 619030030 /nfs/dbraw/zinc/03/00/30/619030030.db2.gz HHCHMZFDGVRVFL-FGTMMUONSA-N 2 3 293.499 2.760 20 0 CFADHP C[C@H](NCCCCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000925808023 619127680 /nfs/dbraw/zinc/12/76/80/619127680.db2.gz MITDFFJZVBMJLH-RDJZCZTQSA-N 2 3 281.488 2.667 20 0 CFADHP C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856244 619185440 /nfs/dbraw/zinc/18/54/40/619185440.db2.gz DXXXOKFCVODHPO-SOEBMCCKSA-N 2 3 279.472 2.514 20 0 CFADHP CC(C)C[C@H](N)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948772 621486538 /nfs/dbraw/zinc/48/65/38/621486538.db2.gz UKTXYLIRAOFJOZ-INIZCTEOSA-N 2 3 269.477 2.558 20 0 CFADHP CC(C)C[C@H](N)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000903948772 621486541 /nfs/dbraw/zinc/48/65/41/621486541.db2.gz UKTXYLIRAOFJOZ-INIZCTEOSA-N 2 3 269.477 2.558 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000842476195 631640331 /nfs/dbraw/zinc/64/03/31/631640331.db2.gz JATNTLDBNIBMSN-FUHWJXTLSA-N 2 3 293.499 2.844 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000842476195 631640337 /nfs/dbraw/zinc/64/03/37/631640337.db2.gz JATNTLDBNIBMSN-FUHWJXTLSA-N 2 3 293.499 2.844 20 0 CFADHP C[C@H]1CN(CCCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447758 645837493 /nfs/dbraw/zinc/83/74/93/645837493.db2.gz KSLSLWLYAMPYGX-INIZCTEOSA-N 2 3 290.455 2.501 20 0 CFADHP C[C@H]1C[N@H+](CCCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447758 645837498 /nfs/dbraw/zinc/83/74/98/645837498.db2.gz KSLSLWLYAMPYGX-INIZCTEOSA-N 2 3 290.455 2.501 20 0 CFADHP C[C@H]1C[N@@H+](CCCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447758 645837504 /nfs/dbraw/zinc/83/75/04/645837504.db2.gz KSLSLWLYAMPYGX-INIZCTEOSA-N 2 3 290.455 2.501 20 0 CFADHP CCC(N)(CC)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925696640 648283531 /nfs/dbraw/zinc/28/35/31/648283531.db2.gz AAAJACAWQDSHAO-OAHLLOKOSA-N 2 3 263.429 2.574 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925704357 648287145 /nfs/dbraw/zinc/28/71/45/648287145.db2.gz GJSUQIYCWDWBED-OPQOLIRYSA-N 2 3 293.499 2.617 20 0 CFADHP C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925820465 648333552 /nfs/dbraw/zinc/33/35/52/648333552.db2.gz CSZIEKUDGBUVKR-RZZCCWGQSA-N 2 3 293.499 2.904 20 0 CFADHP CC1(C[N@H+](C[C@@H]2CCCNC2)C2CCCC2)CC[NH2+]CC1 ZINC001236372573 778795494 /nfs/dbraw/zinc/79/54/94/778795494.db2.gz QEYIQWQZTJZPTA-MRXNPFEDSA-N 2 3 293.499 2.620 20 0 CFADHP CC1(C[N@@H+](C[C@@H]2CCCNC2)C2CCCC2)CC[NH2+]CC1 ZINC001236372573 778795497 /nfs/dbraw/zinc/79/54/97/778795497.db2.gz QEYIQWQZTJZPTA-MRXNPFEDSA-N 2 3 293.499 2.620 20 0 CFADHP c1cc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)cc2c1CNC2 ZINC001235236759 778426695 /nfs/dbraw/zinc/42/66/95/778426695.db2.gz IAGPCOXZKKKCPE-IBGZPJMESA-N 2 3 299.462 2.644 20 0 CFADHP CCN(Cc1ccccc1)C1CC[NH+](CCCC[NH3+])CC1 ZINC001235711767 778544564 /nfs/dbraw/zinc/54/45/64/778544564.db2.gz ADCYKQMTBCGFIK-UHFFFAOYSA-N 2 3 289.467 2.712 20 0 CFADHP CN(CCC[NH2+]C1CCCCC1)CCC1CC[NH2+]CC1 ZINC001235715809 778545583 /nfs/dbraw/zinc/54/55/83/778545583.db2.gz XUDCZJPCJXSKOC-UHFFFAOYSA-N 2 3 281.488 2.620 20 0 CFADHP N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795397 237218812 /nfs/dbraw/zinc/21/88/12/237218812.db2.gz VKPVLSGKHZAKFC-ROUUACIJSA-N 2 3 287.451 2.642 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878638 237299354 /nfs/dbraw/zinc/29/93/54/237299354.db2.gz JKXNTDOAXZSTTQ-VPSFDDGASA-N 2 3 279.472 2.514 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878638 237299358 /nfs/dbraw/zinc/29/93/58/237299358.db2.gz JKXNTDOAXZSTTQ-VPSFDDGASA-N 2 3 279.472 2.514 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422887770 237310145 /nfs/dbraw/zinc/31/01/45/237310145.db2.gz ZJMNRWWIYALAGD-IXDOHACOSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@H]1CN ZINC000422887770 237310154 /nfs/dbraw/zinc/31/01/54/237310154.db2.gz ZJMNRWWIYALAGD-IXDOHACOSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827715 296329172 /nfs/dbraw/zinc/32/91/72/296329172.db2.gz HOSVXCRDCFMANX-RYRKJORJSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827715 296329173 /nfs/dbraw/zinc/32/91/73/296329173.db2.gz HOSVXCRDCFMANX-RYRKJORJSA-N 2 3 293.499 2.619 20 0 CFADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000229936401 382854357 /nfs/dbraw/zinc/85/43/57/382854357.db2.gz QAEJOXDJOZCVLY-OKZBNKHCSA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)[N@H+](C)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000535052880 382946694 /nfs/dbraw/zinc/94/66/94/382946694.db2.gz PTPNRHMOAOXTMI-QGZVFWFLSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[N@@H+](C)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000535052880 382946695 /nfs/dbraw/zinc/94/66/95/382946695.db2.gz PTPNRHMOAOXTMI-QGZVFWFLSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000535052880 382946700 /nfs/dbraw/zinc/94/67/00/382946700.db2.gz PTPNRHMOAOXTMI-QGZVFWFLSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000535052880 382946703 /nfs/dbraw/zinc/94/67/03/382946703.db2.gz PTPNRHMOAOXTMI-QGZVFWFLSA-N 2 3 281.488 2.523 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422697595 382974863 /nfs/dbraw/zinc/97/48/63/382974863.db2.gz VGOZCSSQCQKZCW-QZTJIDSGSA-N 2 3 289.467 2.745 20 0 CFADHP C[N@H+](CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158800 383046267 /nfs/dbraw/zinc/04/62/67/383046267.db2.gz DJQKTBQDPVJANJ-IAGOWNOFSA-N 2 3 273.424 2.595 20 0 CFADHP C[N@@H+](CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158800 383046269 /nfs/dbraw/zinc/04/62/69/383046269.db2.gz DJQKTBQDPVJANJ-IAGOWNOFSA-N 2 3 273.424 2.595 20 0 CFADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000253290699 383450264 /nfs/dbraw/zinc/45/02/64/383450264.db2.gz QAEJOXDJOZCVLY-KZNAEPCWSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H](NCCCCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422708013 394253192 /nfs/dbraw/zinc/25/31/92/394253192.db2.gz BEEXVSLMJBZZEI-DLBZAZTESA-N 2 3 281.488 2.763 20 0 CFADHP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000647553336 395392021 /nfs/dbraw/zinc/39/20/21/395392021.db2.gz UJRZSLQLWAMYBZ-MOPGFXCFSA-N 2 3 295.430 2.728 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423037430 298391819 /nfs/dbraw/zinc/39/18/19/298391819.db2.gz BPXOMAFSVMEUNZ-OWCLPIDISA-N 2 3 281.488 2.747 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583823380 325313664 /nfs/dbraw/zinc/31/36/64/325313664.db2.gz VKQHQZCWHKZJQZ-ROUUACIJSA-N 2 3 289.467 2.888 20 0 CFADHP C(CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC[NH+]1CCCCC1 ZINC000422721384 527479106 /nfs/dbraw/zinc/47/91/06/527479106.db2.gz VGCPETAPRWMNLB-SJPCQFCGSA-N 2 3 279.472 2.515 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422838534 527725640 /nfs/dbraw/zinc/72/56/40/527725640.db2.gz OSDQPMAYSWOFCD-MSOLQXFVSA-N 2 3 295.515 2.852 20 0 CFADHP CCCN(CCC)CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000422715628 528058589 /nfs/dbraw/zinc/05/85/89/528058589.db2.gz SKYPAAFCXICPBQ-UHFFFAOYSA-N 2 3 269.477 2.606 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000422840410 528172234 /nfs/dbraw/zinc/17/22/34/528172234.db2.gz SUJQNTQQKOWGBH-ULQDDVLXSA-N 2 3 283.504 2.994 20 0 CFADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442725 621382852 /nfs/dbraw/zinc/38/28/52/621382852.db2.gz ZWLVECOVDKKRMZ-MHORFTMASA-N 2 3 293.499 2.700 20 0 CFADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442725 621382856 /nfs/dbraw/zinc/38/28/56/621382856.db2.gz ZWLVECOVDKKRMZ-MHORFTMASA-N 2 3 293.499 2.700 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000904388762 621586555 /nfs/dbraw/zinc/58/65/55/621586555.db2.gz OJRQWWZPXKSCBV-ADKAHSJRSA-N 2 3 293.499 2.763 20 0 CFADHP C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817900924 632724316 /nfs/dbraw/zinc/72/43/16/632724316.db2.gz RGFAUEVYTVCMNJ-AQEOSJORSA-N 2 3 293.499 2.904 20 0 CFADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231975 642084798 /nfs/dbraw/zinc/08/47/98/642084798.db2.gz HZSJTVOGYAUHCF-CGTJXYLNSA-N 2 3 295.515 2.837 20 0 CFADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000873231975 642084803 /nfs/dbraw/zinc/08/48/03/642084803.db2.gz HZSJTVOGYAUHCF-CGTJXYLNSA-N 2 3 295.515 2.837 20 0 CFADHP CC(C)[NH+]1CCC(CCN[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000873243565 642092292 /nfs/dbraw/zinc/09/22/92/642092292.db2.gz YJLIPYNPJNHOFA-NVXWUHKLSA-N 2 3 281.488 2.617 20 0 CFADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371871 778795214 /nfs/dbraw/zinc/79/52/14/778795214.db2.gz NVQYBDOLMRFZCI-SJORKVTESA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)[C@H]1CCC[NH2+]C1 ZINC001236371871 778795215 /nfs/dbraw/zinc/79/52/15/778795215.db2.gz NVQYBDOLMRFZCI-SJORKVTESA-N 2 3 293.499 2.620 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)CC2CC2)CC1 ZINC001236553568 778875246 /nfs/dbraw/zinc/87/52/46/778875246.db2.gz ZFUSZTLVRGDOEQ-ULQDDVLXSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)CC2CC2)CC1 ZINC001236553568 778875252 /nfs/dbraw/zinc/87/52/52/778875252.db2.gz ZFUSZTLVRGDOEQ-ULQDDVLXSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000333304528 205201550 /nfs/dbraw/zinc/20/15/50/205201550.db2.gz QPOIPRFOXAJEMV-HSFUPAIVSA-N 2 3 293.499 2.652 20 0 CFADHP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000577351770 382856082 /nfs/dbraw/zinc/85/60/82/382856082.db2.gz HSLXZNBJZIQUTC-CQSZACIVSA-N 2 3 287.451 2.670 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422873478 382986056 /nfs/dbraw/zinc/98/60/56/382986056.db2.gz ANDBFAQHMCIQKC-XWTMOSNGSA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCNCC[C@@H]2C)C1 ZINC000422873478 382986060 /nfs/dbraw/zinc/98/60/60/382986060.db2.gz ANDBFAQHMCIQKC-XWTMOSNGSA-N 2 3 295.515 2.722 20 0 CFADHP [NH3+][C@H]1C[C@@H](NCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134865 383043701 /nfs/dbraw/zinc/04/37/01/383043701.db2.gz MPZLVKXMGBSPTD-ZWKOTPCHSA-N 2 3 287.451 2.987 20 0 CFADHP CC[C@@H](NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834966 394256537 /nfs/dbraw/zinc/25/65/37/394256537.db2.gz IAGYIJWSSGVKTO-MSOLQXFVSA-N 2 3 295.515 2.865 20 0 CFADHP CC[C@@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCN1 ZINC000422834966 394256543 /nfs/dbraw/zinc/25/65/43/394256543.db2.gz IAGYIJWSSGVKTO-MSOLQXFVSA-N 2 3 295.515 2.865 20 0 CFADHP CC1CC[NH+](C2CCC(N[C@@H]3C[NH2+]C[C@H](C)C3)CC2)CC1 ZINC000647550888 395389295 /nfs/dbraw/zinc/38/92/95/395389295.db2.gz MXAGSMJGEFALNN-ZLZJIPBDSA-N 2 3 293.499 2.617 20 0 CFADHP CC1CC[NH+](C2CCC(N[C@H]3C[NH2+]C[C@H](C)C3)CC2)CC1 ZINC000647550887 395389546 /nfs/dbraw/zinc/38/95/46/395389546.db2.gz MXAGSMJGEFALNN-RZZCCWGQSA-N 2 3 293.499 2.617 20 0 CFADHP C(CC1CC[NH2+]CC1)CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000649413862 395489036 /nfs/dbraw/zinc/48/90/36/395489036.db2.gz NTRUCTXDDUJRBU-SFHVURJKSA-N 2 3 293.499 2.717 20 0 CFADHP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(C3CCCCC3)CC2)C1 ZINC000655805511 414450391 /nfs/dbraw/zinc/45/03/91/414450391.db2.gz ILLPWYGHJIGHFB-RHNCMZPLSA-N 2 3 293.499 2.713 20 0 CFADHP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422736811 279040858 /nfs/dbraw/zinc/04/08/58/279040858.db2.gz GVKHAIBWXLWYDF-ROUUACIJSA-N 2 3 289.467 2.888 20 0 CFADHP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2N)c1 ZINC000422736811 279040860 /nfs/dbraw/zinc/04/08/60/279040860.db2.gz GVKHAIBWXLWYDF-ROUUACIJSA-N 2 3 289.467 2.888 20 0 CFADHP CC(C)CC[NH+]1CCC(CN[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422839462 527725302 /nfs/dbraw/zinc/72/53/02/527725302.db2.gz QCRSIMGXQJQLGX-FUHWJXTLSA-N 2 3 295.515 2.865 20 0 CFADHP CC[NH+](CC)C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923327234 626466718 /nfs/dbraw/zinc/46/67/18/626466718.db2.gz QVKUJKWSZJFANE-KCBNDJSGSA-N 2 3 293.499 2.571 20 0 CFADHP [NH3+][C@@H](C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422393 626471648 /nfs/dbraw/zinc/47/16/48/626471648.db2.gz QYRNCHYPIUHJDK-YJBOKZPZSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H](NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817900926 632724220 /nfs/dbraw/zinc/72/42/20/632724220.db2.gz RGFAUEVYTVCMNJ-CPFNUKBASA-N 2 3 293.499 2.904 20 0 CFADHP CC(C)[NH+]1CCC(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000873242172 642091853 /nfs/dbraw/zinc/09/18/53/642091853.db2.gz MNDOIBSRIKMOMD-IAGOWNOFSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1CN(CCCCCCC[NH3+])CCN1c1cc[nH+]cc1 ZINC000883447759 645837020 /nfs/dbraw/zinc/83/70/20/645837020.db2.gz KSLSLWLYAMPYGX-MRXNPFEDSA-N 2 3 290.455 2.501 20 0 CFADHP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447759 645837030 /nfs/dbraw/zinc/83/70/30/645837030.db2.gz KSLSLWLYAMPYGX-MRXNPFEDSA-N 2 3 290.455 2.501 20 0 CFADHP C[C@@H]1C[N@@H+](CCCCCCC[NH3+])CCN1c1ccncc1 ZINC000883447759 645837039 /nfs/dbraw/zinc/83/70/39/645837039.db2.gz KSLSLWLYAMPYGX-MRXNPFEDSA-N 2 3 290.455 2.501 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504962 648189029 /nfs/dbraw/zinc/18/90/29/648189029.db2.gz OUZQWGKSHCBSBZ-KKUMJFAQSA-N 2 3 283.504 2.848 20 0 CFADHP C[NH+](C)[C@@H]1CCC[C@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543143 648209263 /nfs/dbraw/zinc/20/92/63/648209263.db2.gz QYHWZGCOASHMSV-RCCFBDPRSA-N 2 3 289.467 2.929 20 0 CFADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543143 648209267 /nfs/dbraw/zinc/20/92/67/648209267.db2.gz QYHWZGCOASHMSV-RCCFBDPRSA-N 2 3 289.467 2.929 20 0 CFADHP C[C@@H]([NH3+])[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662438 648268803 /nfs/dbraw/zinc/26/88/03/648268803.db2.gz ZYGQNJHAHYCCLP-KDOFPFPSSA-N 2 3 287.451 2.539 20 0 CFADHP C[N@H+](CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925683928 648278639 /nfs/dbraw/zinc/27/86/39/648278639.db2.gz BETHWGPXKSCXHG-ROUUACIJSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925683928 648278645 /nfs/dbraw/zinc/27/86/45/648278645.db2.gz BETHWGPXKSCXHG-ROUUACIJSA-N 2 3 293.499 2.619 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925704348 648287526 /nfs/dbraw/zinc/28/75/26/648287526.db2.gz GJSUQIYCWDWBED-FOIPXRHGSA-N 2 3 293.499 2.617 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)C2CCC2)CC1 ZINC001236572080 778880264 /nfs/dbraw/zinc/88/02/64/778880264.db2.gz LYZKXRVRPNZXQP-BFYDXBDKSA-N 2 3 279.472 2.643 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)C2CCC2)CC1 ZINC001236572080 778880270 /nfs/dbraw/zinc/88/02/70/778880270.db2.gz LYZKXRVRPNZXQP-BFYDXBDKSA-N 2 3 279.472 2.643 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000093210236 347665678 /nfs/dbraw/zinc/66/56/78/347665678.db2.gz LJHNLBVAVXVAKE-ROUUACIJSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000423040837 299270098 /nfs/dbraw/zinc/27/00/98/299270098.db2.gz ICCYWJKHLFLNSX-SOEBMCCKSA-N 2 3 293.499 2.747 20 0 CFADHP C[C@@H](CCC[NH3+])[NH2+]CC1CCN(Cc2cccs2)CC1 ZINC000422831405 237257458 /nfs/dbraw/zinc/25/74/58/237257458.db2.gz SQDKYSMYLYOWDE-AWEZNQCLSA-N 2 3 295.496 2.677 20 0 CFADHP C[C@@H](N)C[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969625 296020885 /nfs/dbraw/zinc/02/08/85/296020885.db2.gz UXTRFVDJEXQVJH-XNIRIUNOSA-N 2 3 281.488 2.745 20 0 CFADHP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000420324940 394116722 /nfs/dbraw/zinc/11/67/22/394116722.db2.gz VXEYQGZWEXOJFI-QZTJIDSGSA-N 2 3 293.499 2.574 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166173278 542958541 /nfs/dbraw/zinc/95/85/41/542958541.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166173278 542958545 /nfs/dbraw/zinc/95/85/45/542958545.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166173278 542958550 /nfs/dbraw/zinc/95/85/50/542958550.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166173278 542958552 /nfs/dbraw/zinc/95/85/52/542958552.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166173278 542958556 /nfs/dbraw/zinc/95/85/56/542958556.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@@H]3C2)C1 ZINC000166173278 542958560 /nfs/dbraw/zinc/95/85/60/542958560.db2.gz QOYHYOSOOOXWTI-KZNAEPCWSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000178979516 287273395 /nfs/dbraw/zinc/27/33/95/287273395.db2.gz XPZKICVCQYQWBP-SJLPKXTDSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000178979516 287273398 /nfs/dbraw/zinc/27/33/98/287273398.db2.gz XPZKICVCQYQWBP-SJLPKXTDSA-N 2 3 293.499 2.572 20 0 CFADHP CNCCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423197862 277268410 /nfs/dbraw/zinc/26/84/10/277268410.db2.gz BOWKXPOBRJPLMR-UHFFFAOYSA-N 2 3 289.467 2.629 20 0 CFADHP CNCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423197862 277268411 /nfs/dbraw/zinc/26/84/11/277268411.db2.gz BOWKXPOBRJPLMR-UHFFFAOYSA-N 2 3 289.467 2.629 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000565430117 290301195 /nfs/dbraw/zinc/30/11/95/290301195.db2.gz CEUPZNFKEXNVBT-VVLHAWIVSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H](N)C2)C1 ZINC000565430117 290301198 /nfs/dbraw/zinc/30/11/98/290301198.db2.gz CEUPZNFKEXNVBT-VVLHAWIVSA-N 2 3 281.488 2.604 20 0 CFADHP CC[NH+](CC)CCCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340717572 520589166 /nfs/dbraw/zinc/58/91/66/520589166.db2.gz ZRKOKTFKLBXIKQ-GOSISDBHSA-N 2 3 295.515 2.820 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCC[NH3+] ZINC000422840623 528171826 /nfs/dbraw/zinc/17/18/26/528171826.db2.gz UFBNBCNFBXTNCT-JYJNAYRXSA-N 2 3 269.477 2.604 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422878438 528236919 /nfs/dbraw/zinc/23/69/19/528236919.db2.gz JDMDMDJVTRJOIU-IAGOWNOFSA-N 2 3 281.488 2.606 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422878440 528237020 /nfs/dbraw/zinc/23/70/20/528237020.db2.gz JDMDMDJVTRJOIU-IRXDYDNUSA-N 2 3 281.488 2.606 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422868113 528835974 /nfs/dbraw/zinc/83/59/74/528835974.db2.gz ULLIZBOEBWCAHB-YJBOKZPZSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422868113 528835976 /nfs/dbraw/zinc/83/59/76/528835976.db2.gz ULLIZBOEBWCAHB-YJBOKZPZSA-N 2 3 289.467 2.744 20 0 CFADHP C[NH+](C)CCCCCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000754784582 574120535 /nfs/dbraw/zinc/12/05/35/574120535.db2.gz HGCUFGDQEKUMJT-IRXDYDNUSA-N 2 3 281.488 2.715 20 0 CFADHP C[NH+](C)CCCCCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754784582 574120537 /nfs/dbraw/zinc/12/05/37/574120537.db2.gz HGCUFGDQEKUMJT-IRXDYDNUSA-N 2 3 281.488 2.715 20 0 CFADHP C[NH+](C)CCCCCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000754784582 574120539 /nfs/dbraw/zinc/12/05/39/574120539.db2.gz HGCUFGDQEKUMJT-IRXDYDNUSA-N 2 3 281.488 2.715 20 0 CFADHP CC[NH+]1CCC(N[C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924569410 618615654 /nfs/dbraw/zinc/61/56/54/618615654.db2.gz GZMDDRAKQRNMCB-OAHLLOKOSA-N 2 3 289.467 2.883 20 0 CFADHP C[NH+](C)C1(C)CCC([NH2+][C@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925731347 619036198 /nfs/dbraw/zinc/03/61/98/619036198.db2.gz ASDYNJFQEABZGG-PLQZLIEUSA-N 2 3 293.499 2.616 20 0 CFADHP C[NH+](C)C1(C)CCC([NH2+][C@@H]2[C@@H]3CCCN[C@@H]3C2(C)C)CC1 ZINC000925731346 619036270 /nfs/dbraw/zinc/03/62/70/619036270.db2.gz ASDYNJFQEABZGG-OWQJAQGESA-N 2 3 293.499 2.616 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925822337 619142921 /nfs/dbraw/zinc/14/29/21/619142921.db2.gz LLOJECDWZDMKGX-CGZBRXJRSA-N 2 3 291.483 2.658 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000904388763 621586368 /nfs/dbraw/zinc/58/63/68/621586368.db2.gz OJRQWWZPXKSCBV-LXPRWKDFSA-N 2 3 293.499 2.763 20 0 CFADHP C[C@@H](CN[C@@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479657 624713753 /nfs/dbraw/zinc/71/37/53/624713753.db2.gz JEHAJQNOAQGSBG-WMZOPIPTSA-N 2 3 289.467 2.788 20 0 CFADHP [NH3+]CCCCCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000844221298 632136344 /nfs/dbraw/zinc/13/63/44/632136344.db2.gz MKSVKFJAHQPUDK-KRWDZBQOSA-N 2 3 281.488 2.846 20 0 CFADHP NC[C@@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914651 632732205 /nfs/dbraw/zinc/73/22/05/632732205.db2.gz WZONVJJUWKRHCX-DLBZAZTESA-N 2 3 281.488 2.750 20 0 CFADHP [NH3+][C@H](C[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156238 641677683 /nfs/dbraw/zinc/67/76/83/641677683.db2.gz GUURGYLHRWPSDR-JFIYKMOQSA-N 2 3 293.499 2.606 20 0 CFADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808387 648330160 /nfs/dbraw/zinc/33/01/60/648330160.db2.gz NHUHBIBEHPWWAH-SJORKVTESA-N 2 3 281.488 2.654 20 0 CFADHP CCN(C)C1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833948 776571708 /nfs/dbraw/zinc/57/17/08/776571708.db2.gz GHUNDUNWTDVTMM-MRXNPFEDSA-N 2 3 283.504 2.913 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCCN2)CC2CCCCC2)CC1 ZINC001236755832 778928952 /nfs/dbraw/zinc/92/89/52/778928952.db2.gz QZOSTGBHEMPKHJ-KZNAEPCWSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCN2)CC2CCCCC2)CC1 ZINC001236755832 778928957 /nfs/dbraw/zinc/92/89/57/778928957.db2.gz QZOSTGBHEMPKHJ-KZNAEPCWSA-N 2 3 293.499 2.891 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093210488 347665459 /nfs/dbraw/zinc/66/54/59/347665459.db2.gz QHNGELTWUDXHSG-ROUUACIJSA-N 2 3 289.467 2.888 20 0 CFADHP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420324941 382368199 /nfs/dbraw/zinc/36/81/99/382368199.db2.gz VXEYQGZWEXOJFI-ROUUACIJSA-N 2 3 293.499 2.574 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415033764 296329797 /nfs/dbraw/zinc/32/97/97/296329797.db2.gz JHQDJHNNACWIHR-LMSBXDPUSA-N 2 3 293.499 2.747 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCCNCC3)CC2)CC1 ZINC000334865370 393625913 /nfs/dbraw/zinc/62/59/13/393625913.db2.gz TXRANHSIEKGOBJ-WWDZGPRUSA-N 2 3 293.499 2.761 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+]C[C@@H]3CCCNC3)CC2)CC1 ZINC000415118307 393811903 /nfs/dbraw/zinc/81/19/03/393811903.db2.gz WJVICSLFKVXOMI-WWDZGPRUSA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422868111 394257423 /nfs/dbraw/zinc/25/74/23/394257423.db2.gz ULLIZBOEBWCAHB-MAUKXSAKSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422868111 394257426 /nfs/dbraw/zinc/25/74/26/394257426.db2.gz ULLIZBOEBWCAHB-MAUKXSAKSA-N 2 3 289.467 2.744 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351548291 163145294 /nfs/dbraw/zinc/14/52/94/163145294.db2.gz QCHRWZXCNDRMQD-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351548291 163145296 /nfs/dbraw/zinc/14/52/96/163145296.db2.gz QCHRWZXCNDRMQD-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H]3CN)CC2)CC1 ZINC000422966003 275935803 /nfs/dbraw/zinc/93/58/03/275935803.db2.gz MOHUGNDTVFSHBD-BFWZDYSYSA-N 2 3 293.499 2.747 20 0 CFADHP CC[NH+]1CCC(CCN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422790402 276149112 /nfs/dbraw/zinc/14/91/12/276149112.db2.gz UARHVUBLMPHQSA-ROUUACIJSA-N 2 3 287.451 2.843 20 0 CFADHP CC(C)(C)N1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000446885387 277151424 /nfs/dbraw/zinc/15/14/24/277151424.db2.gz WEGOXVZTFRGMDM-UHFFFAOYSA-N 2 3 293.499 2.713 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000423546097 282049260 /nfs/dbraw/zinc/04/92/60/282049260.db2.gz KENRVBSPNBVYGB-YXYCDRMUSA-N 2 3 293.499 2.760 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000422840409 528172785 /nfs/dbraw/zinc/17/27/85/528172785.db2.gz SUJQNTQQKOWGBH-IXDOHACOSA-N 2 3 283.504 2.994 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422868112 528837236 /nfs/dbraw/zinc/83/72/36/528837236.db2.gz ULLIZBOEBWCAHB-QAPCUYQASA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422868112 528837240 /nfs/dbraw/zinc/83/72/40/528837240.db2.gz ULLIZBOEBWCAHB-QAPCUYQASA-N 2 3 289.467 2.744 20 0 CFADHP C[NH+]1CCC2(CCC[N@H+](C[C@@H](N)CCC(C)(C)C)C2)CC1 ZINC000904340105 621578210 /nfs/dbraw/zinc/57/82/10/621578210.db2.gz CSTHLLUDDAAWHW-INIZCTEOSA-N 2 3 295.515 2.948 20 0 CFADHP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](N)CCC(C)(C)C)C2)CC1 ZINC000904340105 621578214 /nfs/dbraw/zinc/57/82/14/621578214.db2.gz CSTHLLUDDAAWHW-INIZCTEOSA-N 2 3 295.515 2.948 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904385716 621589036 /nfs/dbraw/zinc/58/90/36/621589036.db2.gz CPPVZHIVQHADPK-KRWDZBQOSA-N 2 3 281.488 2.574 20 0 CFADHP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@]1(C)CCCNC1 ZINC000904385716 621589040 /nfs/dbraw/zinc/58/90/40/621589040.db2.gz CPPVZHIVQHADPK-KRWDZBQOSA-N 2 3 281.488 2.574 20 0 CFADHP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@]1(C)CCCNC1 ZINC000904385716 621589042 /nfs/dbraw/zinc/58/90/42/621589042.db2.gz CPPVZHIVQHADPK-KRWDZBQOSA-N 2 3 281.488 2.574 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000844221544 632137899 /nfs/dbraw/zinc/13/78/99/632137899.db2.gz PSRVQPJUDRFONK-KRWDZBQOSA-N 2 3 281.488 2.703 20 0 CFADHP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000844221544 632137902 /nfs/dbraw/zinc/13/79/02/632137902.db2.gz PSRVQPJUDRFONK-KRWDZBQOSA-N 2 3 281.488 2.703 20 0 CFADHP [NH3+]CCCCCCC[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000844221544 632137904 /nfs/dbraw/zinc/13/79/04/632137904.db2.gz PSRVQPJUDRFONK-KRWDZBQOSA-N 2 3 281.488 2.703 20 0 CFADHP CC1CC[NH+](C[C@@H]2CCCN(CCCCCC[NH3+])C2)CC1 ZINC000846222190 632667040 /nfs/dbraw/zinc/66/70/40/632667040.db2.gz SQJLYWCZXHYNEL-GOSISDBHSA-N 2 3 295.515 2.949 20 0 CFADHP C[C@]1(CN2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232687 642086281 /nfs/dbraw/zinc/08/62/81/642086281.db2.gz WRTPCASTVYSOTB-JQHSSLGASA-N 2 3 293.499 2.606 20 0 CFADHP C[NH+](C)[C@@H]1CCC[C@@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543142 648208953 /nfs/dbraw/zinc/20/89/53/648208953.db2.gz QYHWZGCOASHMSV-KZNAEPCWSA-N 2 3 289.467 2.929 20 0 CFADHP CN(C)[C@@H]1CCC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543142 648208961 /nfs/dbraw/zinc/20/89/61/648208961.db2.gz QYHWZGCOASHMSV-KZNAEPCWSA-N 2 3 289.467 2.929 20 0 CFADHP CC1(C)C[NH2+]CC[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726816 648299758 /nfs/dbraw/zinc/29/97/58/648299758.db2.gz WLAAPEUQSVCMQI-SJORKVTESA-N 2 3 289.467 2.834 20 0 CFADHP C[C@@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CN(C)C ZINC000926469948 648500132 /nfs/dbraw/zinc/50/01/32/648500132.db2.gz IMQOXQQSJUXKKS-GJZGRUSLSA-N 2 3 277.456 2.597 20 0 CFADHP C[NH2+]CCCN(Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236743224 778927463 /nfs/dbraw/zinc/92/74/63/778927463.db2.gz UBGHPJRNSZBURG-QAQDUYKDSA-N 2 3 293.430 2.507 20 0 CFADHP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000423040836 299270024 /nfs/dbraw/zinc/27/00/24/299270024.db2.gz ICCYWJKHLFLNSX-ORBLRFAASA-N 2 3 293.499 2.747 20 0 CFADHP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422736810 382975953 /nfs/dbraw/zinc/97/59/53/382975953.db2.gz GVKHAIBWXLWYDF-QZTJIDSGSA-N 2 3 289.467 2.888 20 0 CFADHP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2N)c1 ZINC000422736810 382975956 /nfs/dbraw/zinc/97/59/56/382975956.db2.gz GVKHAIBWXLWYDF-QZTJIDSGSA-N 2 3 289.467 2.888 20 0 CFADHP CCC1([NH+]2CCCC2)CCN(C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000634998655 383453745 /nfs/dbraw/zinc/45/37/45/383453745.db2.gz JDLDLSVHCAXERK-DLBZAZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000415039354 393810388 /nfs/dbraw/zinc/81/03/88/393810388.db2.gz NXZVBMWBBYQTTE-AHCXZYCDSA-N 2 3 293.499 2.747 20 0 CFADHP CC[N@H+](CCCNC1CCC([NH3+])CC1)C1CCCCC1 ZINC000650710262 397862389 /nfs/dbraw/zinc/86/23/89/397862389.db2.gz KAJDFFVAILLVPW-UHFFFAOYSA-N 2 3 281.488 2.891 20 0 CFADHP CC[N@@H+](CCCNC1CCC([NH3+])CC1)C1CCCCC1 ZINC000650710262 397862390 /nfs/dbraw/zinc/86/23/90/397862390.db2.gz KAJDFFVAILLVPW-UHFFFAOYSA-N 2 3 281.488 2.891 20 0 CFADHP CCN(CCC[NH2+]C1CCC([NH3+])CC1)C1CCCCC1 ZINC000650710262 397862392 /nfs/dbraw/zinc/86/23/92/397862392.db2.gz KAJDFFVAILLVPW-UHFFFAOYSA-N 2 3 281.488 2.891 20 0 CFADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713611 397865553 /nfs/dbraw/zinc/86/55/53/397865553.db2.gz XPUOUQUAKFXQTO-DOTOQJQBSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H](CCC[NH3+])[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415027378 286804552 /nfs/dbraw/zinc/80/45/52/286804552.db2.gz WNUGYNCJIJELCX-VYDXJSESSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000246721622 287274823 /nfs/dbraw/zinc/27/48/23/287274823.db2.gz XPZKICVCQYQWBP-AEFFLSMTSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000246721622 287274825 /nfs/dbraw/zinc/27/48/25/287274825.db2.gz XPZKICVCQYQWBP-AEFFLSMTSA-N 2 3 293.499 2.572 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422697596 276334871 /nfs/dbraw/zinc/33/48/71/276334871.db2.gz VGOZCSSQCQKZCW-ROUUACIJSA-N 2 3 289.467 2.745 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000422838536 278763505 /nfs/dbraw/zinc/76/35/05/278763505.db2.gz OSDQPMAYSWOFCD-ROUUACIJSA-N 2 3 295.515 2.852 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H](N)C3)CC2)CC1 ZINC000582915921 325245433 /nfs/dbraw/zinc/24/54/33/325245433.db2.gz JCXUEUGPFDQCJV-PBHCIXSXSA-N 2 3 293.499 2.889 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422882104 533796924 /nfs/dbraw/zinc/79/69/24/533796924.db2.gz PAFLYZUBEJYPGV-XDNAFOTISA-N 2 3 295.515 2.852 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422882104 533796936 /nfs/dbraw/zinc/79/69/36/533796936.db2.gz PAFLYZUBEJYPGV-XDNAFOTISA-N 2 3 295.515 2.852 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422869245 528835960 /nfs/dbraw/zinc/83/59/60/528835960.db2.gz WZVXFJXOQZXRBE-CABCVRRESA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422869245 528835963 /nfs/dbraw/zinc/83/59/63/528835963.db2.gz WZVXFJXOQZXRBE-CABCVRRESA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422869247 528837383 /nfs/dbraw/zinc/83/73/83/528837383.db2.gz WZVXFJXOQZXRBE-HUUCEWRRSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422869247 528837385 /nfs/dbraw/zinc/83/73/85/528837385.db2.gz WZVXFJXOQZXRBE-HUUCEWRRSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)N1CCC([NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414809422 529001342 /nfs/dbraw/zinc/00/13/42/529001342.db2.gz MJTDVMIHBRBRMM-CQSZACIVSA-N 2 3 275.440 2.669 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442724 621382605 /nfs/dbraw/zinc/38/26/05/621382605.db2.gz ZWLVECOVDKKRMZ-BDXSIMOUSA-N 2 3 293.499 2.700 20 0 CFADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442724 621382606 /nfs/dbraw/zinc/38/26/06/621382606.db2.gz ZWLVECOVDKKRMZ-BDXSIMOUSA-N 2 3 293.499 2.700 20 0 CFADHP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@H](N)CCC(C)(C)C)cc1 ZINC000904349583 621580255 /nfs/dbraw/zinc/58/02/55/621580255.db2.gz AVPSGYKTEYNUDL-XJKSGUPXSA-N 2 3 277.456 2.950 20 0 CFADHP CC(C)[NH+]1CCC(CCN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000873243567 642091761 /nfs/dbraw/zinc/09/17/61/642091761.db2.gz YJLIPYNPJNHOFA-WBVHZDCISA-N 2 3 281.488 2.617 20 0 CFADHP CC[C@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925820647 648333501 /nfs/dbraw/zinc/33/35/01/648333501.db2.gz DZDNNENXNKGLDF-SAGYGOJTSA-N 2 3 293.499 2.904 20 0 CFADHP CC1(C[N@H+](C[C@H]2CCCNC2)C2CCCC2)CC[NH2+]CC1 ZINC001236372569 778795400 /nfs/dbraw/zinc/79/54/00/778795400.db2.gz QEYIQWQZTJZPTA-INIZCTEOSA-N 2 3 293.499 2.620 20 0 CFADHP CC1(C[N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC[NH2+]CC1 ZINC001236372569 778795406 /nfs/dbraw/zinc/79/54/06/778795406.db2.gz QEYIQWQZTJZPTA-INIZCTEOSA-N 2 3 293.499 2.620 20 0 CFADHP CCN(C)C1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167833947 776572328 /nfs/dbraw/zinc/57/23/28/776572328.db2.gz GHUNDUNWTDVTMM-INIZCTEOSA-N 2 3 283.504 2.913 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC2(CN(C)C2)CC1 ZINC001167841077 776600773 /nfs/dbraw/zinc/60/07/73/776600773.db2.gz JZZYFCFNEFDYOK-INIZCTEOSA-N 2 3 281.488 2.525 20 0 CFADHP c1cc(C[N@@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1CNC2 ZINC001235156285 778398647 /nfs/dbraw/zinc/39/86/47/778398647.db2.gz FVLPPKCAUKQWCA-IBGZPJMESA-N 2 3 299.462 2.644 20 0 CFADHP c1cc(C[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)cc2c1CNC2 ZINC001235156285 778398651 /nfs/dbraw/zinc/39/86/51/778398651.db2.gz FVLPPKCAUKQWCA-IBGZPJMESA-N 2 3 299.462 2.644 20 0 CFADHP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429500 778487231 /nfs/dbraw/zinc/48/72/31/778487231.db2.gz UFSHNKBTGIUMPB-WMZOPIPTSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429500 778487233 /nfs/dbraw/zinc/48/72/33/778487233.db2.gz UFSHNKBTGIUMPB-WMZOPIPTSA-N 2 3 299.462 2.501 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)CC2CC2)CC1 ZINC001236553566 778875704 /nfs/dbraw/zinc/87/57/04/778875704.db2.gz ZFUSZTLVRGDOEQ-BRWVUGGUSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)CC2CC2)CC1 ZINC001236553566 778875707 /nfs/dbraw/zinc/87/57/07/778875707.db2.gz ZFUSZTLVRGDOEQ-BRWVUGGUSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+]CCCCCC[N@@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304317 779072929 /nfs/dbraw/zinc/07/29/29/779072929.db2.gz HFIDSKYNPCNGPY-UHFFFAOYSA-N 2 3 287.451 2.600 20 0 CFADHP [NH3+]CCCCCC[N@H+]1Cc2ccccc2C12CCNCC2 ZINC001237304317 779072935 /nfs/dbraw/zinc/07/29/35/779072935.db2.gz HFIDSKYNPCNGPY-UHFFFAOYSA-N 2 3 287.451 2.600 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414826699 233368166 /nfs/dbraw/zinc/36/81/66/233368166.db2.gz GAVRLADYKJXTGG-RYRKJORJSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H](NCCCCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422708016 299288435 /nfs/dbraw/zinc/28/84/35/299288435.db2.gz BEEXVSLMJBZZEI-IRXDYDNUSA-N 2 3 281.488 2.763 20 0 CFADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698579 379786713 /nfs/dbraw/zinc/78/67/13/379786713.db2.gz KNLZAMMWLCDEKN-USSHROBNSA-N 2 3 293.499 2.889 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000347565869 381224887 /nfs/dbraw/zinc/22/48/87/381224887.db2.gz LREHKGDFFWCODL-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000347565869 381224894 /nfs/dbraw/zinc/22/48/94/381224894.db2.gz LREHKGDFFWCODL-SFHVURJKSA-N 2 3 295.515 2.915 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422873476 382985305 /nfs/dbraw/zinc/98/53/05/382985305.db2.gz ANDBFAQHMCIQKC-XDNAFOTISA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCNCC[C@H]2C)C1 ZINC000422873476 382985310 /nfs/dbraw/zinc/98/53/10/382985310.db2.gz ANDBFAQHMCIQKC-XDNAFOTISA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566926534 383227111 /nfs/dbraw/zinc/22/71/11/383227111.db2.gz MZGGYFQLPFOUMG-OWCLPIDISA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H](N)C1 ZINC000566926534 383227113 /nfs/dbraw/zinc/22/71/13/383227113.db2.gz MZGGYFQLPFOUMG-OWCLPIDISA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713614 397865420 /nfs/dbraw/zinc/86/54/20/397865420.db2.gz XPUOUQUAKFXQTO-WBVHZDCISA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423037431 298391738 /nfs/dbraw/zinc/39/17/38/298391738.db2.gz BPXOMAFSVMEUNZ-PMPSAXMXSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878038 287022494 /nfs/dbraw/zinc/02/24/94/287022494.db2.gz IRTDOWJXQWZOCL-ZACQAIPSSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878038 287022495 /nfs/dbraw/zinc/02/24/95/287022495.db2.gz IRTDOWJXQWZOCL-ZACQAIPSSA-N 2 3 281.488 2.619 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910800 279384101 /nfs/dbraw/zinc/38/41/01/279384101.db2.gz JIDGCVYGWNMJTR-ZWKOTPCHSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422910800 279384103 /nfs/dbraw/zinc/38/41/03/279384103.db2.gz JIDGCVYGWNMJTR-ZWKOTPCHSA-N 2 3 289.467 2.744 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422873477 533797342 /nfs/dbraw/zinc/79/73/42/533797342.db2.gz ANDBFAQHMCIQKC-XMTFNYHQSA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCNCC[C@H]2C)C1 ZINC000422873477 533797349 /nfs/dbraw/zinc/79/73/49/533797349.db2.gz ANDBFAQHMCIQKC-XMTFNYHQSA-N 2 3 295.515 2.722 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784820 528190748 /nfs/dbraw/zinc/19/07/48/528190748.db2.gz MJPPUPRYHSOVIO-CABCVRRESA-N 2 3 277.456 2.744 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H](C)C[C@@H](C)[NH3+] ZINC000422780373 528200311 /nfs/dbraw/zinc/20/03/11/528200311.db2.gz DBXPUMQFIMEPJY-HUUCEWRRSA-N 2 3 277.456 2.744 20 0 CFADHP NC1(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925693240 618938619 /nfs/dbraw/zinc/93/86/19/618938619.db2.gz QOGVELVWIYKISM-INIZCTEOSA-N 2 3 275.440 2.718 20 0 CFADHP NC[C@@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900251 632724134 /nfs/dbraw/zinc/72/41/34/632724134.db2.gz LQQORKIYFXFJBS-ZGRYLRDCSA-N 2 3 279.472 2.501 20 0 CFADHP C[NH+](C)C1(C)CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873248137 642094521 /nfs/dbraw/zinc/09/45/21/642094521.db2.gz AEORLUZEZJTNNS-JDCHQWLXSA-N 2 3 287.451 2.984 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925552102 648213843 /nfs/dbraw/zinc/21/38/43/648213843.db2.gz GXDVHPNPHUJSOP-HZPDHXFCSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925552102 648213846 /nfs/dbraw/zinc/21/38/46/648213846.db2.gz GXDVHPNPHUJSOP-HZPDHXFCSA-N 2 3 279.472 2.515 20 0 CFADHP CC[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925861137 648347982 /nfs/dbraw/zinc/34/79/82/648347982.db2.gz MWFYQEZLQGEANS-GMRIPVOYSA-N 2 3 279.472 2.514 20 0 CFADHP CC(C)CCN1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000926573497 648539102 /nfs/dbraw/zinc/53/91/02/648539102.db2.gz MIGUXOAPSSFRQD-KRWDZBQOSA-N 2 3 295.515 2.818 20 0 CFADHP CC(C)CCN1CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000926573497 648539108 /nfs/dbraw/zinc/53/91/08/648539108.db2.gz MIGUXOAPSSFRQD-KRWDZBQOSA-N 2 3 295.515 2.818 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCCC2)CC1 ZINC001236565476 778878006 /nfs/dbraw/zinc/87/80/06/778878006.db2.gz HSPPIMIUAZEXHS-BQFCYCMXSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCCC2)CC1 ZINC001236565476 778878012 /nfs/dbraw/zinc/87/80/12/778878012.db2.gz HSPPIMIUAZEXHS-BQFCYCMXSA-N 2 3 293.499 2.891 20 0 CFADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000253290700 282693478 /nfs/dbraw/zinc/69/34/78/282693478.db2.gz QAEJOXDJOZCVLY-RCCFBDPRSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]1CCNCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723186 382975539 /nfs/dbraw/zinc/97/55/39/382975539.db2.gz ZUUZUFJWHSKWJB-DLBZAZTESA-N 2 3 281.488 2.620 20 0 CFADHP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422833084 382981998 /nfs/dbraw/zinc/98/19/98/382981998.db2.gz YFKFBOLHSFUUOD-HNNXBMFYSA-N 2 3 281.488 2.891 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+]C[C@H]3CCCNC3)CC2)CC1 ZINC000415118303 393812191 /nfs/dbraw/zinc/81/21/91/393812191.db2.gz WJVICSLFKVXOMI-AOCRQIFASA-N 2 3 293.499 2.619 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000423546094 394295600 /nfs/dbraw/zinc/29/56/00/394295600.db2.gz KENRVBSPNBVYGB-KWXGJIJISA-N 2 3 293.499 2.760 20 0 CFADHP CC1CC[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166174415 542958656 /nfs/dbraw/zinc/95/86/56/542958656.db2.gz KTKUKJFDOXKEBP-ZWKOTPCHSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166174415 542958660 /nfs/dbraw/zinc/95/86/60/542958660.db2.gz KTKUKJFDOXKEBP-ZWKOTPCHSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)CC1 ZINC000166174415 542958663 /nfs/dbraw/zinc/95/86/63/542958663.db2.gz KTKUKJFDOXKEBP-ZWKOTPCHSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](C2CCC(N[C@@H]3C[NH2+]C[C@@H](C)C3)CC2)CC1 ZINC000647550885 395389468 /nfs/dbraw/zinc/38/94/68/395389468.db2.gz MXAGSMJGEFALNN-NALMEZQBSA-N 2 3 293.499 2.617 20 0 CFADHP C[C@@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000037221216 543027749 /nfs/dbraw/zinc/02/77/49/543027749.db2.gz SFNQTPZRFIAADY-CYBMUJFWSA-N 2 3 281.488 2.616 20 0 CFADHP CN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401164538 413163194 /nfs/dbraw/zinc/16/31/94/413163194.db2.gz URYBWEFLNMKKND-BRWVUGGUSA-N 2 3 293.499 2.619 20 0 CFADHP CC[N@H+](CCCNCC1CC[NH2+]CC1)C1CCCCC1 ZINC000650710166 397863235 /nfs/dbraw/zinc/86/32/35/397863235.db2.gz GONJGMZVKJZHGM-UHFFFAOYSA-N 2 3 281.488 2.620 20 0 CFADHP CC[N@@H+](CCCNCC1CC[NH2+]CC1)C1CCCCC1 ZINC000650710166 397863239 /nfs/dbraw/zinc/86/32/39/397863239.db2.gz GONJGMZVKJZHGM-UHFFFAOYSA-N 2 3 281.488 2.620 20 0 CFADHP CC[NH+]1CCC(CCN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422790400 276148975 /nfs/dbraw/zinc/14/89/75/276148975.db2.gz UARHVUBLMPHQSA-MSOLQXFVSA-N 2 3 287.451 2.843 20 0 CFADHP C[NH+](C)C1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000353521741 282048586 /nfs/dbraw/zinc/04/85/86/282048586.db2.gz SIUCPNWBMJEELG-UHFFFAOYSA-N 2 3 293.499 2.856 20 0 CFADHP [NH3+][C@H]1CCC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226288 290285530 /nfs/dbraw/zinc/28/55/30/290285530.db2.gz LXXWHXXWNOVNAB-ROUUACIJSA-N 2 3 287.451 2.642 20 0 CFADHP [NH3+][C@@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626731 324760509 /nfs/dbraw/zinc/76/05/09/324760509.db2.gz QIXTZRCRGBAQSL-QZTJIDSGSA-N 2 3 287.451 2.642 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@H](N)C3)CC2)CC1 ZINC000582915920 325245529 /nfs/dbraw/zinc/24/55/29/325245529.db2.gz JCXUEUGPFDQCJV-NALMEZQBSA-N 2 3 293.499 2.889 20 0 CFADHP CC[NH+](CC)CCCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340717573 520588935 /nfs/dbraw/zinc/58/89/35/520588935.db2.gz ZRKOKTFKLBXIKQ-SFHVURJKSA-N 2 3 295.515 2.820 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738927 527846928 /nfs/dbraw/zinc/84/69/28/527846928.db2.gz KLIHLSMYKRIQBF-ZWKOTPCHSA-N 2 3 289.467 2.745 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422738927 527846933 /nfs/dbraw/zinc/84/69/33/527846933.db2.gz KLIHLSMYKRIQBF-ZWKOTPCHSA-N 2 3 289.467 2.745 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422868110 528836477 /nfs/dbraw/zinc/83/64/77/528836477.db2.gz ULLIZBOEBWCAHB-CRAIPNDOSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422868110 528836480 /nfs/dbraw/zinc/83/64/80/528836480.db2.gz ULLIZBOEBWCAHB-CRAIPNDOSA-N 2 3 289.467 2.744 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925822336 619143099 /nfs/dbraw/zinc/14/30/99/619143099.db2.gz LLOJECDWZDMKGX-AQFXKWCLSA-N 2 3 291.483 2.658 20 0 CFADHP C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144079 619968160 /nfs/dbraw/zinc/96/81/60/619968160.db2.gz SSUNPJVGMCWNQG-VKJFTORMSA-N 2 3 289.467 2.882 20 0 CFADHP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144079 619968161 /nfs/dbraw/zinc/96/81/61/619968161.db2.gz SSUNPJVGMCWNQG-VKJFTORMSA-N 2 3 289.467 2.882 20 0 CFADHP C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144078 619968237 /nfs/dbraw/zinc/96/82/37/619968237.db2.gz SSUNPJVGMCWNQG-RVKKMQEKSA-N 2 3 289.467 2.882 20 0 CFADHP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144078 619968238 /nfs/dbraw/zinc/96/82/38/619968238.db2.gz SSUNPJVGMCWNQG-RVKKMQEKSA-N 2 3 289.467 2.882 20 0 CFADHP CCC1([NH+]2CCCCC2)CCN(C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903482499 621392366 /nfs/dbraw/zinc/39/23/66/621392366.db2.gz JOEHQJZXXZDITH-SJORKVTESA-N 2 3 293.499 2.844 20 0 CFADHP CC[C@H](NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817898689 632723441 /nfs/dbraw/zinc/72/34/41/632723441.db2.gz ACKCGHCBCZAHQQ-FOIPXRHGSA-N 2 3 293.499 2.904 20 0 CFADHP NC[C@@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901074 632725322 /nfs/dbraw/zinc/72/53/22/632725322.db2.gz SDABWZATZOJVRJ-FCCDEINASA-N 2 3 293.499 2.891 20 0 CFADHP C[C@H]([NH3+])[C@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662439 648268457 /nfs/dbraw/zinc/26/84/57/648268457.db2.gz ZYGQNJHAHYCCLP-KSSFIOAISA-N 2 3 287.451 2.539 20 0 CFADHP C[C@H]([NH3+])[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662437 648268634 /nfs/dbraw/zinc/26/86/34/648268634.db2.gz ZYGQNJHAHYCCLP-KBXCAEBGSA-N 2 3 287.451 2.539 20 0 CFADHP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000925861641 648347966 /nfs/dbraw/zinc/34/79/66/648347966.db2.gz RKSGMKKDFHFKKQ-ORBLRFAASA-N 2 3 279.472 2.501 20 0 CFADHP C(C[NH2+]C1CCCCC1)CN1CCCC2(CC[NH2+]CC2)C1 ZINC001204727990 776973842 /nfs/dbraw/zinc/97/38/42/776973842.db2.gz ZSTDJICUZPOUSW-UHFFFAOYSA-N 2 3 293.499 2.764 20 0 CFADHP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429492 778486950 /nfs/dbraw/zinc/48/69/50/778486950.db2.gz UFSHNKBTGIUMPB-SJLPKXTDSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429492 778486955 /nfs/dbraw/zinc/48/69/55/778486955.db2.gz UFSHNKBTGIUMPB-SJLPKXTDSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429485 778487292 /nfs/dbraw/zinc/48/72/92/778487292.db2.gz UFSHNKBTGIUMPB-FUHWJXTLSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1CNC2 ZINC001235429485 778487293 /nfs/dbraw/zinc/48/72/93/778487293.db2.gz UFSHNKBTGIUMPB-FUHWJXTLSA-N 2 3 299.462 2.501 20 0 CFADHP c1cc(C[NH+]2CCC(C3CC[NH2+]CC3)CC2)cc2c1CNC2 ZINC001235703063 778542530 /nfs/dbraw/zinc/54/25/30/778542530.db2.gz QEGAXOMIZGPQSY-UHFFFAOYSA-N 2 3 299.462 2.501 20 0 CFADHP CNCCC[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565317 778877534 /nfs/dbraw/zinc/87/75/34/778877534.db2.gz DSFJVHSDXGZUHM-KOMQPUFPSA-N 2 3 267.461 2.501 20 0 CFADHP CNCCC[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236565317 778877541 /nfs/dbraw/zinc/87/75/41/778877541.db2.gz DSFJVHSDXGZUHM-KOMQPUFPSA-N 2 3 267.461 2.501 20 0 CFADHP CC(C)(C)C[N@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769647 779637675 /nfs/dbraw/zinc/63/76/75/779637675.db2.gz YIYROTDKQYSYEA-JYJNAYRXSA-N 2 3 281.488 2.604 20 0 CFADHP CC(C)(C)C[N@@H+](C[C@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769647 779637679 /nfs/dbraw/zinc/63/76/79/779637679.db2.gz YIYROTDKQYSYEA-JYJNAYRXSA-N 2 3 281.488 2.604 20 0 CFADHP [NH3+]Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001241918500 781181774 /nfs/dbraw/zinc/18/17/74/781181774.db2.gz ZBHSLWWVCNZZAN-UHFFFAOYSA-N 2 3 295.430 2.735 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093210486 347665298 /nfs/dbraw/zinc/66/52/98/347665298.db2.gz QHNGELTWUDXHSG-ZWKOTPCHSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000422781155 237199525 /nfs/dbraw/zinc/19/95/25/237199525.db2.gz DTZWCJYGVATGCC-HZPDHXFCSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879785 296121514 /nfs/dbraw/zinc/12/15/14/296121514.db2.gz LESDPNCVAWXFSZ-GVDBMIGSSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879785 296121515 /nfs/dbraw/zinc/12/15/15/296121515.db2.gz LESDPNCVAWXFSZ-GVDBMIGSSA-N 2 3 281.488 2.761 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000089147878 374875805 /nfs/dbraw/zinc/87/58/05/374875805.db2.gz FKRNUJHAKKCIQN-ZWKOTPCHSA-N 2 3 289.467 2.745 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089147740 284738569 /nfs/dbraw/zinc/73/85/69/284738569.db2.gz PWHBIWNWQVDWOZ-CRAIPNDOSA-N 2 3 289.467 2.745 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422697594 382975078 /nfs/dbraw/zinc/97/50/78/382975078.db2.gz VGOZCSSQCQKZCW-MSOLQXFVSA-N 2 3 289.467 2.745 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000566926533 383226648 /nfs/dbraw/zinc/22/66/48/383226648.db2.gz MZGGYFQLPFOUMG-OAGGEKHMSA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H](N)C1 ZINC000566926533 383226652 /nfs/dbraw/zinc/22/66/52/383226652.db2.gz MZGGYFQLPFOUMG-OAGGEKHMSA-N 2 3 267.461 2.501 20 0 CFADHP CC[N@H+](CCC1CCN(C[C@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990404 395474213 /nfs/dbraw/zinc/47/42/13/395474213.db2.gz XUAOLWPSAWLTTI-SFHVURJKSA-N 2 3 295.515 2.676 20 0 CFADHP CC[N@@H+](CCC1CCN(C[C@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990404 395474216 /nfs/dbraw/zinc/47/42/16/395474216.db2.gz XUAOLWPSAWLTTI-SFHVURJKSA-N 2 3 295.515 2.676 20 0 CFADHP C(CC1CC[NH2+]CC1)CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000649413856 395489105 /nfs/dbraw/zinc/48/91/05/395489105.db2.gz NEUITJCJFJFGBB-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000649413856 395489107 /nfs/dbraw/zinc/48/91/07/395489107.db2.gz NEUITJCJFJFGBB-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H](CN2CCCCC2)C1 ZINC000649413856 395489108 /nfs/dbraw/zinc/48/91/08/395489108.db2.gz NEUITJCJFJFGBB-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP C[C@H]([NH2+]CCCN1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000037209580 543027599 /nfs/dbraw/zinc/02/75/99/543027599.db2.gz DUVVIJXCJYJKPB-CVEARBPZSA-N 2 3 281.488 2.571 20 0 CFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827717 287311386 /nfs/dbraw/zinc/31/13/86/287311386.db2.gz HOSVXCRDCFMANX-SOLBZPMBSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000414827717 287311388 /nfs/dbraw/zinc/31/13/88/287311388.db2.gz HOSVXCRDCFMANX-SOLBZPMBSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816545 278169572 /nfs/dbraw/zinc/16/95/72/278169572.db2.gz ARDGFXFSZKWQQQ-CQSZACIVSA-N 2 3 267.461 2.501 20 0 CFADHP [NH3+][C@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226290 290285560 /nfs/dbraw/zinc/28/55/60/290285560.db2.gz LXXWHXXWNOVNAB-ZWKOTPCHSA-N 2 3 287.451 2.642 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000583823381 325313562 /nfs/dbraw/zinc/31/35/62/325313562.db2.gz VKQHQZCWHKZJQZ-ZWKOTPCHSA-N 2 3 289.467 2.888 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925683929 618469961 /nfs/dbraw/zinc/46/99/61/618469961.db2.gz BETHWGPXKSCXHG-ZWKOTPCHSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCNC[C@H]1C1CCCC1)C1CC1 ZINC000925683929 618469966 /nfs/dbraw/zinc/46/99/66/618469966.db2.gz BETHWGPXKSCXHG-ZWKOTPCHSA-N 2 3 293.499 2.619 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@@H]2CN)CC1 ZINC000925824377 619145385 /nfs/dbraw/zinc/14/53/85/619145385.db2.gz SHTBPSAPUXQYAG-GYXIZQIFSA-N 2 3 279.472 2.501 20 0 CFADHP C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856231 619185118 /nfs/dbraw/zinc/18/51/18/619185118.db2.gz DXXXOKFCVODHPO-KZYLPZIUSA-N 2 3 279.472 2.514 20 0 CFADHP C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144076 619968216 /nfs/dbraw/zinc/96/82/16/619968216.db2.gz SSUNPJVGMCWNQG-MPGHIAIKSA-N 2 3 289.467 2.882 20 0 CFADHP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144076 619968217 /nfs/dbraw/zinc/96/82/17/619968217.db2.gz SSUNPJVGMCWNQG-MPGHIAIKSA-N 2 3 289.467 2.882 20 0 CFADHP CN(C)CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327660 621037119 /nfs/dbraw/zinc/03/71/19/621037119.db2.gz FZAZFWDABYMAOM-HUUCEWRRSA-N 2 3 283.504 2.721 20 0 CFADHP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCCNC1 ZINC000904384639 621588912 /nfs/dbraw/zinc/58/89/12/621588912.db2.gz KWGLEGPDTCONAO-SFHVURJKSA-N 2 3 295.515 2.676 20 0 CFADHP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@]1(C)CCCNC1 ZINC000904384639 621588914 /nfs/dbraw/zinc/58/89/14/621588914.db2.gz KWGLEGPDTCONAO-SFHVURJKSA-N 2 3 295.515 2.676 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000842476196 631640682 /nfs/dbraw/zinc/64/06/82/631640682.db2.gz JATNTLDBNIBMSN-SJLPKXTDSA-N 2 3 293.499 2.844 20 0 CFADHP [NH3+]CCCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000842476196 631640684 /nfs/dbraw/zinc/64/06/84/631640684.db2.gz JATNTLDBNIBMSN-SJLPKXTDSA-N 2 3 293.499 2.844 20 0 CFADHP NC[C@H]1CCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900249 632724694 /nfs/dbraw/zinc/72/46/94/632724694.db2.gz LQQORKIYFXFJBS-RDHHWEPZSA-N 2 3 279.472 2.501 20 0 CFADHP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528223 648201263 /nfs/dbraw/zinc/20/12/63/648201263.db2.gz ZULUIAIIILYEHF-IAGOWNOFSA-N 2 3 289.467 2.744 20 0 CFADHP CC1(C)[C@H]2NCCC[C@H]2[C@@H]1[NH2+]CCCCC[NH+]1CCCC1 ZINC000925676402 648275155 /nfs/dbraw/zinc/27/51/55/648275155.db2.gz ITUVDXDCZBZQOI-ULQDDVLXSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925683927 648278012 /nfs/dbraw/zinc/27/80/12/648278012.db2.gz BETHWGPXKSCXHG-QZTJIDSGSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCNC[C@@H]1C1CCCC1)C1CC1 ZINC000925683927 648278015 /nfs/dbraw/zinc/27/80/15/648278015.db2.gz BETHWGPXKSCXHG-QZTJIDSGSA-N 2 3 293.499 2.619 20 0 CFADHP CCCN1C[C@@H]2C[N@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840356 776597305 /nfs/dbraw/zinc/59/73/05/776597305.db2.gz FISRZRZIYLHSTG-OKZBNKHCSA-N 2 3 295.515 2.771 20 0 CFADHP CCCN1C[C@@H]2C[N@@H+]([C@@H](C)CCC[NH+](CC)CC)C[C@@H]2C1 ZINC001167840356 776597310 /nfs/dbraw/zinc/59/73/10/776597310.db2.gz FISRZRZIYLHSTG-OKZBNKHCSA-N 2 3 295.515 2.771 20 0 CFADHP CCCN1C[C@@H]2C[NH+]([C@H](C)CCC[NH+](CC)CC)C[C@H]2C1 ZINC001167840355 776598414 /nfs/dbraw/zinc/59/84/14/776598414.db2.gz FISRZRZIYLHSTG-KZNAEPCWSA-N 2 3 295.515 2.771 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236567379 778877468 /nfs/dbraw/zinc/87/74/68/778877468.db2.gz UNVOVCBBZIZFAE-ZOBUZTSGSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@H]2CCCNC2)C2CCCC2)CC1 ZINC001236567379 778877475 /nfs/dbraw/zinc/87/74/75/778877475.db2.gz UNVOVCBBZIZFAE-ZOBUZTSGSA-N 2 3 279.472 2.501 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1CC1 ZINC000423161598 529884005 /nfs/dbraw/zinc/88/40/05/529884005.db2.gz JGCLWGJGXWEHKK-OKZBNKHCSA-N 2 3 293.499 2.761 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCCN1)C1CC1 ZINC000423161598 529884006 /nfs/dbraw/zinc/88/40/06/529884006.db2.gz JGCLWGJGXWEHKK-OKZBNKHCSA-N 2 3 293.499 2.761 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878036 299289261 /nfs/dbraw/zinc/28/92/61/299289261.db2.gz IRTDOWJXQWZOCL-ULQDDVLXSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878036 299289263 /nfs/dbraw/zinc/28/92/63/299289263.db2.gz IRTDOWJXQWZOCL-ULQDDVLXSA-N 2 3 281.488 2.619 20 0 CFADHP [NH3+][C@@H]1C[C@H](NCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134562 238225168 /nfs/dbraw/zinc/22/51/68/238225168.db2.gz MPZLVKXMGBSPTD-MSOLQXFVSA-N 2 3 287.451 2.987 20 0 CFADHP C[C@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000158690356 540976369 /nfs/dbraw/zinc/97/63/69/540976369.db2.gz KGZJFXJKJJPIMQ-BBWFWOEESA-N 2 3 295.515 2.674 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698555 296329232 /nfs/dbraw/zinc/32/92/32/296329232.db2.gz KNLZAMMWLCDEKN-IDMDMSBLSA-N 2 3 293.499 2.889 20 0 CFADHP C[C@@H](N)C[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831066 532964775 /nfs/dbraw/zinc/96/47/75/532964775.db2.gz SJEFTULOQKZLJK-KGLIPLIRSA-N 2 3 295.496 2.676 20 0 CFADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000422781153 532967272 /nfs/dbraw/zinc/96/72/72/532967272.db2.gz DTZWCJYGVATGCC-CVEARBPZSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000566926535 383226765 /nfs/dbraw/zinc/22/67/65/383226765.db2.gz MZGGYFQLPFOUMG-PMPSAXMXSA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H](N)C1 ZINC000566926535 383226770 /nfs/dbraw/zinc/22/67/70/383226770.db2.gz MZGGYFQLPFOUMG-PMPSAXMXSA-N 2 3 267.461 2.501 20 0 CFADHP CC[N@H+](CCC1CC[NH+](CC(C)(C)N)CC1)CC1CC1 ZINC000261942954 383582624 /nfs/dbraw/zinc/58/26/24/383582624.db2.gz MYWIEFGOFBBBRA-UHFFFAOYSA-N 2 3 281.488 2.558 20 0 CFADHP CC[N@@H+](CCC1CC[NH+](CC(C)(C)N)CC1)CC1CC1 ZINC000261942954 383582629 /nfs/dbraw/zinc/58/26/29/383582629.db2.gz MYWIEFGOFBBBRA-UHFFFAOYSA-N 2 3 281.488 2.558 20 0 CFADHP C[C@H]([NH2+]CCCN(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000037901165 543032499 /nfs/dbraw/zinc/03/24/99/543032499.db2.gz RVTVSXJBGJUPAA-INIZCTEOSA-N 2 3 295.515 2.961 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@@H]2C)CC1 ZINC000422829394 278763398 /nfs/dbraw/zinc/76/33/98/278763398.db2.gz BYGRAWCQYAUYPU-FUHWJXTLSA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000565430118 290301428 /nfs/dbraw/zinc/30/14/28/290301428.db2.gz CEUPZNFKEXNVBT-YVSFHVDLSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCC[C@H](N)C2)C1 ZINC000565430118 290301430 /nfs/dbraw/zinc/30/14/30/290301430.db2.gz CEUPZNFKEXNVBT-YVSFHVDLSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000246721639 290391993 /nfs/dbraw/zinc/39/19/93/290391993.db2.gz XPZKICVCQYQWBP-WMZOPIPTSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000246721639 290391998 /nfs/dbraw/zinc/39/19/98/290391998.db2.gz XPZKICVCQYQWBP-WMZOPIPTSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000415027346 298398247 /nfs/dbraw/zinc/39/82/47/298398247.db2.gz WHNULYYPPSMRKW-ZMSDIMECSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@H](N)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423224414 534175264 /nfs/dbraw/zinc/17/52/64/534175264.db2.gz JCPUSJUFESNVCT-ZLPCBKJTSA-N 2 3 289.467 2.757 20 0 CFADHP C[C@H](N)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423224414 534175276 /nfs/dbraw/zinc/17/52/76/534175276.db2.gz JCPUSJUFESNVCT-ZLPCBKJTSA-N 2 3 289.467 2.757 20 0 CFADHP C[C@@]1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000340714329 525829585 /nfs/dbraw/zinc/82/95/85/525829585.db2.gz VVNUJFOGBWZPEH-GOSISDBHSA-N 2 3 293.499 2.574 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738924 527846787 /nfs/dbraw/zinc/84/67/87/527846787.db2.gz KLIHLSMYKRIQBF-QZTJIDSGSA-N 2 3 289.467 2.745 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738924 527846789 /nfs/dbraw/zinc/84/67/89/527846789.db2.gz KLIHLSMYKRIQBF-QZTJIDSGSA-N 2 3 289.467 2.745 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C[C@@H](C)[NH3+] ZINC000422780371 528199751 /nfs/dbraw/zinc/19/97/51/528199751.db2.gz DBXPUMQFIMEPJY-CABCVRRESA-N 2 3 277.456 2.744 20 0 CFADHP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000893489563 619016347 /nfs/dbraw/zinc/01/63/47/619016347.db2.gz ZCUDRDZCFBVZTN-RDJZCZTQSA-N 2 3 293.499 2.571 20 0 CFADHP CCCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000093488541 619029941 /nfs/dbraw/zinc/02/99/41/619029941.db2.gz LUOMIZGGIPSHSL-OKZBNKHCSA-N 2 3 293.499 2.761 20 0 CFADHP C[C@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000925856240 619185355 /nfs/dbraw/zinc/18/53/55/619185355.db2.gz DXXXOKFCVODHPO-ORBLRFAASA-N 2 3 279.472 2.514 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327658 621037145 /nfs/dbraw/zinc/03/71/45/621037145.db2.gz FZAZFWDABYMAOM-CABCVRRESA-N 2 3 283.504 2.721 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925704361 648287291 /nfs/dbraw/zinc/28/72/91/648287291.db2.gz GJSUQIYCWDWBED-ZGUYJTEBSA-N 2 3 293.499 2.617 20 0 CFADHP C[C@H](C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)CN(C)C ZINC000926469952 648500061 /nfs/dbraw/zinc/50/00/61/648500061.db2.gz IMQOXQQSJUXKKS-HUUCEWRRSA-N 2 3 277.456 2.597 20 0 CFADHP C[C@H](C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)CN(C)C ZINC000926469945 648500234 /nfs/dbraw/zinc/50/02/34/648500234.db2.gz IMQOXQQSJUXKKS-CABCVRRESA-N 2 3 277.456 2.597 20 0 CFADHP [NH3+]C12CC(CC[N@H+](C[C@H]3CCCNC3)C3CCCC3)(C1)C2 ZINC001236372640 778795260 /nfs/dbraw/zinc/79/52/60/778795260.db2.gz RLWDHWSQGOFNLT-ZLPCBKJTSA-N 2 3 291.483 2.502 20 0 CFADHP [NH3+]C12CC(CC[N@@H+](C[C@H]3CCCNC3)C3CCCC3)(C1)C2 ZINC001236372640 778795269 /nfs/dbraw/zinc/79/52/69/778795269.db2.gz RLWDHWSQGOFNLT-ZLPCBKJTSA-N 2 3 291.483 2.502 20 0 CFADHP C[N@@H+]1CCC[C@@H](CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369818 778794396 /nfs/dbraw/zinc/79/43/96/778794396.db2.gz DIWYNBHGHZOZCP-DLBZAZTESA-N 2 3 293.499 2.572 20 0 CFADHP C[N@H+]1CCC[C@@H](CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369818 778794398 /nfs/dbraw/zinc/79/43/98/778794398.db2.gz DIWYNBHGHZOZCP-DLBZAZTESA-N 2 3 293.499 2.572 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](C[C@@H]2CCCNC2)C2CCCCC2)CC1 ZINC001236565477 778877336 /nfs/dbraw/zinc/87/73/36/778877336.db2.gz HSPPIMIUAZEXHS-JFIYKMOQSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](C[C@@H]2CCCNC2)C2CCCCC2)CC1 ZINC001236565477 778877342 /nfs/dbraw/zinc/87/73/42/778877342.db2.gz HSPPIMIUAZEXHS-JFIYKMOQSA-N 2 3 293.499 2.891 20 0 CFADHP CN(CCC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000422803517 529891453 /nfs/dbraw/zinc/89/14/53/529891453.db2.gz JAWVMFDPPSRONO-UHFFFAOYSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@H](N)C[C@H](C)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831065 237256065 /nfs/dbraw/zinc/25/60/65/237256065.db2.gz SJEFTULOQKZLJK-KBPBESRZSA-N 2 3 295.496 2.676 20 0 CFADHP C[C@H]1C[C@H](C)C[NH+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888076 237309172 /nfs/dbraw/zinc/30/91/72/237309172.db2.gz ZZZVCMRHZRACFK-SZNINPNASA-N 2 3 293.499 2.617 20 0 CFADHP C[NH+]1CCC(C)(C[NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000378541167 382479353 /nfs/dbraw/zinc/47/93/53/382479353.db2.gz DXFKLTICTGBUGT-UHFFFAOYSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422873475 382985338 /nfs/dbraw/zinc/98/53/38/382985338.db2.gz ANDBFAQHMCIQKC-MHORFTMASA-N 2 3 295.515 2.722 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCNCC[C@@H]2C)C1 ZINC000422873475 382985343 /nfs/dbraw/zinc/98/53/43/382985343.db2.gz ANDBFAQHMCIQKC-MHORFTMASA-N 2 3 295.515 2.722 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540429 383111649 /nfs/dbraw/zinc/11/16/49/383111649.db2.gz YQMIMYYNTPPQND-ROUUACIJSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540429 383111652 /nfs/dbraw/zinc/11/16/52/383111652.db2.gz YQMIMYYNTPPQND-ROUUACIJSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@H+](C)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000531614373 383898431 /nfs/dbraw/zinc/89/84/31/383898431.db2.gz QUARFEIDWXTBER-SFHVURJKSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[N@@H+](C)CC1CCN(CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000531614373 383898438 /nfs/dbraw/zinc/89/84/38/383898438.db2.gz QUARFEIDWXTBER-SFHVURJKSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000531614373 383898445 /nfs/dbraw/zinc/89/84/45/383898445.db2.gz QUARFEIDWXTBER-SFHVURJKSA-N 2 3 295.515 2.913 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000531614373 383898452 /nfs/dbraw/zinc/89/84/52/383898452.db2.gz QUARFEIDWXTBER-SFHVURJKSA-N 2 3 295.515 2.913 20 0 CFADHP C[C@H]1CCC[C@H](N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699383 393616998 /nfs/dbraw/zinc/61/69/98/393616998.db2.gz LMVMEMZTXFUAPN-USSHROBNSA-N 2 3 293.499 2.889 20 0 CFADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713613 397865886 /nfs/dbraw/zinc/86/58/86/397865886.db2.gz XPUOUQUAKFXQTO-RDJZCZTQSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H]([NH3+])c1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656786739 413230917 /nfs/dbraw/zinc/23/09/17/413230917.db2.gz PYEGJXMKNZLFPV-AWEZNQCLSA-N 2 3 295.430 2.642 20 0 CFADHP N[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311045 270367304 /nfs/dbraw/zinc/36/73/04/270367304.db2.gz AQUKCGDWZDTHCN-HZPDHXFCSA-N 2 3 267.461 2.502 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000422838535 277353946 /nfs/dbraw/zinc/35/39/46/277353946.db2.gz OSDQPMAYSWOFCD-QZTJIDSGSA-N 2 3 295.515 2.852 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCNCC[C@H]2C)CC1 ZINC000422829388 278763530 /nfs/dbraw/zinc/76/35/30/278763530.db2.gz BYGRAWCQYAUYPU-AEFFLSMTSA-N 2 3 295.515 2.722 20 0 CFADHP [NH3+]CC1CCC([NH2+]C2CCN(C3CCCC3)CC2)CC1 ZINC000422841384 295223534 /nfs/dbraw/zinc/22/35/34/295223534.db2.gz VVWWVXNNLTWPGM-UHFFFAOYSA-N 2 3 279.472 2.501 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422882107 533798066 /nfs/dbraw/zinc/79/80/66/533798066.db2.gz PAFLYZUBEJYPGV-XWTMOSNGSA-N 2 3 295.515 2.852 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422882107 533798076 /nfs/dbraw/zinc/79/80/76/533798076.db2.gz PAFLYZUBEJYPGV-XWTMOSNGSA-N 2 3 295.515 2.852 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067330 520259493 /nfs/dbraw/zinc/25/94/93/520259493.db2.gz IFODKDOYOIOSDK-QAPCUYQASA-N 2 3 289.467 2.568 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067330 520259495 /nfs/dbraw/zinc/25/94/95/520259495.db2.gz IFODKDOYOIOSDK-QAPCUYQASA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000361067330 520259502 /nfs/dbraw/zinc/25/95/02/520259502.db2.gz IFODKDOYOIOSDK-QAPCUYQASA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000361067330 520259507 /nfs/dbraw/zinc/25/95/07/520259507.db2.gz IFODKDOYOIOSDK-QAPCUYQASA-N 2 3 289.467 2.568 20 0 CFADHP C[C@]1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000340714331 525243691 /nfs/dbraw/zinc/24/36/91/525243691.db2.gz VVNUJFOGBWZPEH-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP CC(C)C[C@@H](N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414708083 528347046 /nfs/dbraw/zinc/34/70/46/528347046.db2.gz ORDVXKYPMUNJHM-GOSISDBHSA-N 2 3 295.515 2.948 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422869246 528837674 /nfs/dbraw/zinc/83/76/74/528837674.db2.gz WZVXFJXOQZXRBE-GJZGRUSLSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422869246 528837681 /nfs/dbraw/zinc/83/76/81/528837681.db2.gz WZVXFJXOQZXRBE-GJZGRUSLSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)CCN1CCC([NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000926557628 618205650 /nfs/dbraw/zinc/20/56/50/618205650.db2.gz DCLSWIPCBIKRHJ-UHFFFAOYSA-N 2 3 295.515 2.961 20 0 CFADHP CC(C)CCN1CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000926557628 618205651 /nfs/dbraw/zinc/20/56/51/618205651.db2.gz DCLSWIPCBIKRHJ-UHFFFAOYSA-N 2 3 295.515 2.961 20 0 CFADHP C[C@@H](NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925856216 619185310 /nfs/dbraw/zinc/18/53/10/619185310.db2.gz DXXXOKFCVODHPO-GYXIZQIFSA-N 2 3 279.472 2.514 20 0 CFADHP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@H](N)CCC(C)(C)C)cc1 ZINC000904349582 621580607 /nfs/dbraw/zinc/58/06/07/621580607.db2.gz AVPSGYKTEYNUDL-CZUORRHYSA-N 2 3 277.456 2.950 20 0 CFADHP NCCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCCC1 ZINC000923353932 626468549 /nfs/dbraw/zinc/46/85/49/626468549.db2.gz OCZHGTZOELOGRI-AYHJJNSGSA-N 2 3 293.499 2.748 20 0 CFADHP NCCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC1CCCC1 ZINC000923353932 626468551 /nfs/dbraw/zinc/46/85/51/626468551.db2.gz OCZHGTZOELOGRI-AYHJJNSGSA-N 2 3 293.499 2.748 20 0 CFADHP NC[C@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900250 632724671 /nfs/dbraw/zinc/72/46/71/632724671.db2.gz LQQORKIYFXFJBS-VXLLPVPCSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+]CCC[C@H](NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000925516661 648194303 /nfs/dbraw/zinc/19/43/03/648194303.db2.gz DZHXQIFYVQQKDB-SFHVURJKSA-N 2 3 289.467 2.932 20 0 CFADHP C(C[N@H+](C[C@H]1CCCNC1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373564 778795914 /nfs/dbraw/zinc/79/59/14/778795914.db2.gz ZNTJVRXKWWCHSL-KRWDZBQOSA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@H]1CCCNC1)C1CCCC1)C1CC[NH2+]CC1 ZINC001236373564 778795921 /nfs/dbraw/zinc/79/59/21/778795921.db2.gz ZNTJVRXKWWCHSL-KRWDZBQOSA-N 2 3 293.499 2.620 20 0 CFADHP C[C@H](N)C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902022 237322264 /nfs/dbraw/zinc/32/22/64/237322264.db2.gz MHXSKLUGJMWFDD-HOTGVXAUSA-N 2 3 289.467 2.614 20 0 CFADHP C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750416 541688309 /nfs/dbraw/zinc/68/83/09/541688309.db2.gz KGZJFXJKJJPIMQ-IXDOHACOSA-N 2 3 295.515 2.674 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000333304500 205202510 /nfs/dbraw/zinc/20/25/10/205202510.db2.gz QPOIPRFOXAJEMV-DUQPFJRNSA-N 2 3 293.499 2.652 20 0 CFADHP CCC1([NH+]2CCCC2)CCN(C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000634998657 383453945 /nfs/dbraw/zinc/45/39/45/383453945.db2.gz JDLDLSVHCAXERK-IRXDYDNUSA-N 2 3 293.499 2.715 20 0 CFADHP C[NH+](C)C1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335030151 393635438 /nfs/dbraw/zinc/63/54/38/393635438.db2.gz RFIUVCILWYINCN-CXMPNGEBSA-N 2 3 273.424 2.594 20 0 CFADHP C[C@@H](CCC[NH3+])[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415027376 393810447 /nfs/dbraw/zinc/81/04/47/393810447.db2.gz WNUGYNCJIJELCX-HLLBOEOZSA-N 2 3 281.488 2.747 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)CC1 ZINC000423546095 394295742 /nfs/dbraw/zinc/29/57/42/394295742.db2.gz KENRVBSPNBVYGB-NHHFINERSA-N 2 3 293.499 2.760 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000423037429 298392677 /nfs/dbraw/zinc/39/26/77/298392677.db2.gz BPXOMAFSVMEUNZ-OAGGEKHMSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879784 287022502 /nfs/dbraw/zinc/02/25/02/287022502.db2.gz LESDPNCVAWXFSZ-BRWVUGGUSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422879784 287022503 /nfs/dbraw/zinc/02/25/03/287022503.db2.gz LESDPNCVAWXFSZ-BRWVUGGUSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](N)C[C@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969622 298962805 /nfs/dbraw/zinc/96/28/05/298962805.db2.gz UXTRFVDJEXQVJH-JUVOFCAFSA-N 2 3 281.488 2.745 20 0 CFADHP CC[NH+]1CCC(CCN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422790403 276148684 /nfs/dbraw/zinc/14/86/84/276148684.db2.gz UARHVUBLMPHQSA-ZWKOTPCHSA-N 2 3 287.451 2.843 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938336 276308512 /nfs/dbraw/zinc/30/85/12/276308512.db2.gz IFODKDOYOIOSDK-YJBOKZPZSA-N 2 3 289.467 2.568 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938336 276308513 /nfs/dbraw/zinc/30/85/13/276308513.db2.gz IFODKDOYOIOSDK-YJBOKZPZSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000123938336 276308514 /nfs/dbraw/zinc/30/85/14/276308514.db2.gz IFODKDOYOIOSDK-YJBOKZPZSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000123938336 276308515 /nfs/dbraw/zinc/30/85/15/276308515.db2.gz IFODKDOYOIOSDK-YJBOKZPZSA-N 2 3 289.467 2.568 20 0 CFADHP CN(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCCC1 ZINC000423031868 289094474 /nfs/dbraw/zinc/09/44/74/289094474.db2.gz DVMXPJLSOJRKKI-GVDBMIGSSA-N 2 3 293.499 2.619 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCC[NH3+] ZINC000422840408 528172033 /nfs/dbraw/zinc/17/20/33/528172033.db2.gz SUJQNTQQKOWGBH-IKGGRYGDSA-N 2 3 283.504 2.994 20 0 CFADHP CCCC[N@H+](C)CC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414679258 528338989 /nfs/dbraw/zinc/33/89/89/528338989.db2.gz RRBVFLMDQNLKKQ-QGZVFWFLSA-N 2 3 283.504 2.804 20 0 CFADHP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414679258 528338993 /nfs/dbraw/zinc/33/89/93/528338993.db2.gz RRBVFLMDQNLKKQ-QGZVFWFLSA-N 2 3 283.504 2.804 20 0 CFADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697325 618950841 /nfs/dbraw/zinc/95/08/41/618950841.db2.gz DMSYQLHSPHNROF-VBNZEHGJSA-N 2 3 275.440 2.702 20 0 CFADHP C[C@H](NCCCCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000925808017 619127552 /nfs/dbraw/zinc/12/75/52/619127552.db2.gz MITDFFJZVBMJLH-DOTOQJQBSA-N 2 3 281.488 2.667 20 0 CFADHP C[NH+]1CCC2(CCC[N@H+](C[C@H](N)CCC(C)(C)C)C2)CC1 ZINC000904340106 621578373 /nfs/dbraw/zinc/57/83/73/621578373.db2.gz CSTHLLUDDAAWHW-MRXNPFEDSA-N 2 3 295.515 2.948 20 0 CFADHP C[NH+]1CCC2(CCC[N@@H+](C[C@H](N)CCC(C)(C)C)C2)CC1 ZINC000904340106 621578376 /nfs/dbraw/zinc/57/83/76/621578376.db2.gz CSTHLLUDDAAWHW-MRXNPFEDSA-N 2 3 295.515 2.948 20 0 CFADHP C[NH+](C)C1(C)CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000873248138 642094212 /nfs/dbraw/zinc/09/42/12/642094212.db2.gz AEORLUZEZJTNNS-KHCOKFHASA-N 2 3 287.451 2.984 20 0 CFADHP C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924525905 647987494 /nfs/dbraw/zinc/98/74/94/647987494.db2.gz HKHPITZNQJWSQN-OAHLLOKOSA-N 2 3 291.483 2.987 20 0 CFADHP c1cc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)cc2c1CNC2 ZINC001235236761 778426871 /nfs/dbraw/zinc/42/68/71/778426871.db2.gz IAGPCOXZKKKCPE-LJQANCHMSA-N 2 3 299.462 2.644 20 0 CFADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000093491252 347677335 /nfs/dbraw/zinc/67/73/35/347677335.db2.gz MWHIJJHTUXBARQ-OKZBNKHCSA-N 2 3 293.499 2.619 20 0 CFADHP CCCC[N@H+](C)CC1CC[NH+](CCCN2CCCC2)CC1 ZINC000153070327 347971891 /nfs/dbraw/zinc/97/18/91/347971891.db2.gz VOQNKQMZBSCHRW-UHFFFAOYSA-N 2 3 295.515 2.916 20 0 CFADHP CCCC[N@@H+](C)CC1CC[NH+](CCCN2CCCC2)CC1 ZINC000153070327 347971896 /nfs/dbraw/zinc/97/18/96/347971896.db2.gz VOQNKQMZBSCHRW-UHFFFAOYSA-N 2 3 295.515 2.916 20 0 CFADHP CC1CC[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339067704 540282788 /nfs/dbraw/zinc/28/27/88/540282788.db2.gz KTKUKJFDOXKEBP-ROUUACIJSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339067704 540282790 /nfs/dbraw/zinc/28/27/90/540282790.db2.gz KTKUKJFDOXKEBP-ROUUACIJSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339067704 540282791 /nfs/dbraw/zinc/28/27/91/540282791.db2.gz KTKUKJFDOXKEBP-ROUUACIJSA-N 2 3 293.499 2.715 20 0 CFADHP CCCC[N@H+](C)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000089425592 374904357 /nfs/dbraw/zinc/90/43/57/374904357.db2.gz FUWDZMXHAANSJH-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[N@@H+](C)CC1CCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000089425592 374904364 /nfs/dbraw/zinc/90/43/64/374904364.db2.gz FUWDZMXHAANSJH-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[NH+](C)CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000089425592 374904370 /nfs/dbraw/zinc/90/43/70/374904370.db2.gz FUWDZMXHAANSJH-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP CCCC[NH+](C)CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000089425592 374904374 /nfs/dbraw/zinc/90/43/74/374904374.db2.gz FUWDZMXHAANSJH-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP CC[NH+](CC)CCCC1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346991478 380854695 /nfs/dbraw/zinc/85/46/95/380854695.db2.gz SZYKPMHNNMFBKO-GOSISDBHSA-N 2 3 295.515 2.820 20 0 CFADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@H]2CCCNC2)CC1 ZINC000346991478 380854708 /nfs/dbraw/zinc/85/47/08/380854708.db2.gz SZYKPMHNNMFBKO-GOSISDBHSA-N 2 3 295.515 2.820 20 0 CFADHP CCC[NH+]1CCC(N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415058665 381744065 /nfs/dbraw/zinc/74/40/65/381744065.db2.gz UHVWYYKZHJBLJL-SFHVURJKSA-N 2 3 289.467 2.931 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415033758 296329337 /nfs/dbraw/zinc/32/93/37/296329337.db2.gz JHQDJHNNACWIHR-ATLSCFEFSA-N 2 3 293.499 2.747 20 0 CFADHP [NH3+]CC1CCC([NH2+]C2CCN(C3CCCCC3)CC2)CC1 ZINC000422817502 382982609 /nfs/dbraw/zinc/98/26/09/382982609.db2.gz DJEWQOCITPQLMO-UHFFFAOYSA-N 2 3 293.499 2.891 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497625 384662929 /nfs/dbraw/zinc/66/29/29/384662929.db2.gz JGIDXXXHPGNMIP-QAPCUYQASA-N 2 3 293.499 2.619 20 0 CFADHP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000647553337 395392199 /nfs/dbraw/zinc/39/21/99/395392199.db2.gz UJRZSLQLWAMYBZ-OALUTQOASA-N 2 3 295.430 2.728 20 0 CFADHP C[C@@H]([NH2+]CCCN(C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000037901166 543032363 /nfs/dbraw/zinc/03/23/63/543032363.db2.gz RVTVSXJBGJUPAA-MRXNPFEDSA-N 2 3 295.515 2.961 20 0 CFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000414827709 287311305 /nfs/dbraw/zinc/31/13/05/287311305.db2.gz HOSVXCRDCFMANX-JFIYKMOQSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[C@H]2CC[NH2+]C2)CC1 ZINC000414827709 287311307 /nfs/dbraw/zinc/31/13/07/287311307.db2.gz HOSVXCRDCFMANX-JFIYKMOQSA-N 2 3 293.499 2.619 20 0 CFADHP N[C@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311044 270367337 /nfs/dbraw/zinc/36/73/37/270367337.db2.gz AQUKCGDWZDTHCN-HOTGVXAUSA-N 2 3 267.461 2.502 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000423037428 298392662 /nfs/dbraw/zinc/39/26/62/298392662.db2.gz BPXOMAFSVMEUNZ-BZUAXINKSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)CC[NH+]1CCC(CN[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839461 527725834 /nfs/dbraw/zinc/72/58/34/527725834.db2.gz QCRSIMGXQJQLGX-AEFFLSMTSA-N 2 3 295.515 2.865 20 0 CFADHP C[C@H]([NH3+])c1ccc(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697322 618950795 /nfs/dbraw/zinc/95/07/95/618950795.db2.gz DMSYQLHSPHNROF-APHBMKBZSA-N 2 3 275.440 2.702 20 0 CFADHP NC[C@H]1CCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914654 632732454 /nfs/dbraw/zinc/73/24/54/632732454.db2.gz WZONVJJUWKRHCX-SJORKVTESA-N 2 3 281.488 2.750 20 0 CFADHP [NH3+][C@H](C[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156240 641677341 /nfs/dbraw/zinc/67/73/41/641677341.db2.gz GUURGYLHRWPSDR-SOLBZPMBSA-N 2 3 293.499 2.606 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000089147742 650828425 /nfs/dbraw/zinc/82/84/25/650828425.db2.gz PWHBIWNWQVDWOZ-MAUKXSAKSA-N 2 3 289.467 2.745 20 0 CFADHP CN1CCCC[C@H]1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248951 644195078 /nfs/dbraw/zinc/19/50/78/644195078.db2.gz ZYARAASGRULDDO-KRWDZBQOSA-N 2 3 293.499 2.669 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925704353 648287280 /nfs/dbraw/zinc/28/72/80/648287280.db2.gz GJSUQIYCWDWBED-HIEASXQVSA-N 2 3 293.499 2.617 20 0 CFADHP CC1(C)C[NH2+]CC[C@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925726813 648300134 /nfs/dbraw/zinc/30/01/34/648300134.db2.gz WLAAPEUQSVCMQI-DLBZAZTESA-N 2 3 289.467 2.834 20 0 CFADHP C[C@@H]1C[C@H](C)CN(CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295256 778411728 /nfs/dbraw/zinc/41/17/28/778411728.db2.gz ZOYCYICZIMELKS-OQSMONGASA-N 2 3 295.515 2.817 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC1 ZINC000423161597 529883812 /nfs/dbraw/zinc/88/38/12/529883812.db2.gz JGCLWGJGXWEHKK-KZNAEPCWSA-N 2 3 293.499 2.761 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCCN1)C1CC1 ZINC000423161597 529883814 /nfs/dbraw/zinc/88/38/14/529883814.db2.gz JGCLWGJGXWEHKK-KZNAEPCWSA-N 2 3 293.499 2.761 20 0 CFADHP C[C@@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000222417113 539759552 /nfs/dbraw/zinc/75/95/52/539759552.db2.gz DUVVIJXCJYJKPB-JKSUJKDBSA-N 2 3 281.488 2.571 20 0 CFADHP C(CCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075635 540283228 /nfs/dbraw/zinc/28/32/28/540283228.db2.gz QZYMDVQSZOWYBA-MSOLQXFVSA-N 2 3 293.499 2.859 20 0 CFADHP C(CCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075635 540283232 /nfs/dbraw/zinc/28/32/32/540283232.db2.gz QZYMDVQSZOWYBA-MSOLQXFVSA-N 2 3 293.499 2.859 20 0 CFADHP C(CC[NH2+][C@@H]1CCN2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075635 540283234 /nfs/dbraw/zinc/28/32/34/540283234.db2.gz QZYMDVQSZOWYBA-MSOLQXFVSA-N 2 3 293.499 2.859 20 0 CFADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722689 237137815 /nfs/dbraw/zinc/13/78/15/237137815.db2.gz YNMQUWBMKDCOQP-DLBZAZTESA-N 2 3 281.488 2.750 20 0 CFADHP C[C@H](C[C@H](C)[NH3+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000422781156 237197694 /nfs/dbraw/zinc/19/76/94/237197694.db2.gz DTZWCJYGVATGCC-JKSUJKDBSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@H](C[C@H](C)N)[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422831067 237256620 /nfs/dbraw/zinc/25/66/20/237256620.db2.gz SJEFTULOQKZLJK-UONOGXRCSA-N 2 3 295.496 2.676 20 0 CFADHP CCN(CC)CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877938 382552762 /nfs/dbraw/zinc/55/27/62/382552762.db2.gz CMNFMTSOLJXUPC-UHFFFAOYSA-N 2 3 281.488 2.526 20 0 CFADHP CCN(CC)CCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366877938 382552767 /nfs/dbraw/zinc/55/27/67/382552767.db2.gz CMNFMTSOLJXUPC-UHFFFAOYSA-N 2 3 281.488 2.526 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422697597 382975040 /nfs/dbraw/zinc/97/50/40/382975040.db2.gz VGOZCSSQCQKZCW-ZWKOTPCHSA-N 2 3 289.467 2.745 20 0 CFADHP C[NH+](C)C1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000335030155 393635325 /nfs/dbraw/zinc/63/53/25/393635325.db2.gz RFIUVCILWYINCN-SMELUJQZSA-N 2 3 273.424 2.594 20 0 CFADHP CN(CCCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@@H+]1C ZINC000649413790 395489345 /nfs/dbraw/zinc/48/93/45/395489345.db2.gz FRLTXCGDZVFAJN-QGZVFWFLSA-N 2 3 281.488 2.572 20 0 CFADHP CN(CCCC1CC[NH2+]CC1)CC[C@H]1CCCC[N@H+]1C ZINC000649413790 395489347 /nfs/dbraw/zinc/48/93/47/395489347.db2.gz FRLTXCGDZVFAJN-QGZVFWFLSA-N 2 3 281.488 2.572 20 0 CFADHP CN(CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401164540 413164074 /nfs/dbraw/zinc/16/40/74/413164074.db2.gz URYBWEFLNMKKND-IXDOHACOSA-N 2 3 293.499 2.619 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCC[NH3+] ZINC000422840411 528173277 /nfs/dbraw/zinc/17/32/77/528173277.db2.gz SUJQNTQQKOWGBH-YESZJQIVSA-N 2 3 283.504 2.994 20 0 CFADHP NC1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)CCCCC1 ZINC000925693241 618938776 /nfs/dbraw/zinc/93/87/76/618938776.db2.gz QOGVELVWIYKISM-MRXNPFEDSA-N 2 3 275.440 2.718 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@@H]2CN)CC1 ZINC000925824379 619145657 /nfs/dbraw/zinc/14/56/57/619145657.db2.gz SHTBPSAPUXQYAG-KZYLPZIUSA-N 2 3 279.472 2.501 20 0 CFADHP C[C@@H]([NH3+])c1ccc(CNCc2cccc3c2CC[NH2+]C3)cc1 ZINC000903918208 621478647 /nfs/dbraw/zinc/47/86/47/621478647.db2.gz VBNCEBXKIODZNP-CQSZACIVSA-N 2 3 295.430 2.642 20 0 CFADHP [NH3+][C@H](C[C@@H]1CCCN(CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422391 626471487 /nfs/dbraw/zinc/47/14/87/626471487.db2.gz QYRNCHYPIUHJDK-MAUKXSAKSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H](NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000817900925 632723925 /nfs/dbraw/zinc/72/39/25/632723925.db2.gz RGFAUEVYTVCMNJ-BFWZDYSYSA-N 2 3 293.499 2.904 20 0 CFADHP NC[C@H]1CCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914652 632732006 /nfs/dbraw/zinc/73/20/06/632732006.db2.gz WZONVJJUWKRHCX-IAGOWNOFSA-N 2 3 281.488 2.750 20 0 CFADHP C(CC[NH2+][C@H]1CCNC12CCC2)CC[NH+]1CCCCC1 ZINC000925488075 648181916 /nfs/dbraw/zinc/18/19/16/648181916.db2.gz PTYJBOXFMISJIZ-INIZCTEOSA-N 2 3 279.472 2.517 20 0 CFADHP C[NH+](C)C1CCC([NH+]2CCC(N3CCCCC3)CC2)CC1 ZINC001168315915 778427570 /nfs/dbraw/zinc/42/75/70/778427570.db2.gz QURGUBSFOXTZSZ-UHFFFAOYSA-N 2 3 293.499 2.810 20 0 CFADHP [NH3+]CCCCCC[N@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373879 778796393 /nfs/dbraw/zinc/79/63/93/778796393.db2.gz MPMMFVHHPPPDAK-INIZCTEOSA-N 2 3 281.488 2.750 20 0 CFADHP [NH3+]CCCCCC[N@@H+](C[C@H]1CCCNC1)C1CCCC1 ZINC001236373879 778796396 /nfs/dbraw/zinc/79/63/96/778796396.db2.gz MPMMFVHHPPPDAK-INIZCTEOSA-N 2 3 281.488 2.750 20 0 CFADHP CC(C)C1=NCCc2ccc(C[NH+]3CCC(C[NH3+])CC3)cc21 ZINC001205054152 780648383 /nfs/dbraw/zinc/64/83/83/780648383.db2.gz XRYXTRWMWRJTSD-UHFFFAOYSA-N 2 3 299.462 2.859 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093210237 347665270 /nfs/dbraw/zinc/66/52/70/347665270.db2.gz LJHNLBVAVXVAKE-QZTJIDSGSA-N 2 3 289.467 2.888 20 0 CFADHP CC(C)CN1CCC[C@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090586530 539591566 /nfs/dbraw/zinc/59/15/66/539591566.db2.gz FMFRGPWCHHVJTL-DLBZAZTESA-N 2 3 295.515 2.674 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422887768 237310481 /nfs/dbraw/zinc/31/04/81/237310481.db2.gz ZJMNRWWIYALAGD-BRWVUGGUSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000422887768 237310487 /nfs/dbraw/zinc/31/04/87/237310487.db2.gz ZJMNRWWIYALAGD-BRWVUGGUSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H](N)C[C@@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902023 237324189 /nfs/dbraw/zinc/32/41/89/237324189.db2.gz MHXSKLUGJMWFDD-HZPDHXFCSA-N 2 3 289.467 2.614 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000154411477 378564341 /nfs/dbraw/zinc/56/43/41/378564341.db2.gz JDJDYOFIGLPAOC-KRWDZBQOSA-N 2 3 281.488 2.525 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000154411477 378564346 /nfs/dbraw/zinc/56/43/46/378564346.db2.gz JDJDYOFIGLPAOC-KRWDZBQOSA-N 2 3 281.488 2.525 20 0 CFADHP CCN(CC)C[C@H]1CCCC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841732 284728179 /nfs/dbraw/zinc/72/81/79/284728179.db2.gz WSWUAPFUIFGSRU-VXLLPVPCSA-N 2 3 281.488 2.747 20 0 CFADHP C[C@@H](CCCC[NH3+])[NH2+]CCCN(C)C1CCCCC1 ZINC000336818102 380681324 /nfs/dbraw/zinc/68/13/24/380681324.db2.gz UBMHPYSDHNRVKQ-HNNXBMFYSA-N 2 3 269.477 2.748 20 0 CFADHP C[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000229936381 382854430 /nfs/dbraw/zinc/85/44/30/382854430.db2.gz QAEJOXDJOZCVLY-FGTMMUONSA-N 2 3 293.499 2.619 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841488 382983824 /nfs/dbraw/zinc/98/38/24/382983824.db2.gz VZYRRGXVYQOBPO-JYSRZZCRSA-N 2 3 295.515 2.994 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@H]3CN)CC2)CC1 ZINC000422966007 382990000 /nfs/dbraw/zinc/99/00/00/382990000.db2.gz MOHUGNDTVFSHBD-FCCDEINASA-N 2 3 293.499 2.747 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)CC[C@@H]1CCC[N@@H+]1C ZINC000640532194 383818403 /nfs/dbraw/zinc/81/84/03/383818403.db2.gz BIVWPNLBBOLDNA-KRWDZBQOSA-N 2 3 281.488 2.669 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)CC[C@@H]1CCC[N@H+]1C ZINC000640532194 383818408 /nfs/dbraw/zinc/81/84/08/383818408.db2.gz BIVWPNLBBOLDNA-KRWDZBQOSA-N 2 3 281.488 2.669 20 0 CFADHP C[C@H]1CCC[C@H](N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497626 384662984 /nfs/dbraw/zinc/66/29/84/384662984.db2.gz JGIDXXXHPGNMIP-YJBOKZPZSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422816544 394256696 /nfs/dbraw/zinc/25/66/96/394256696.db2.gz ARDGFXFSZKWQQQ-AWEZNQCLSA-N 2 3 267.461 2.501 20 0 CFADHP [NH3+]Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000647553339 395391918 /nfs/dbraw/zinc/39/19/18/395391918.db2.gz UJRZSLQLWAMYBZ-RTBURBONSA-N 2 3 295.430 2.728 20 0 CFADHP CN(CCCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000649413789 395489303 /nfs/dbraw/zinc/48/93/03/395489303.db2.gz FRLTXCGDZVFAJN-KRWDZBQOSA-N 2 3 281.488 2.572 20 0 CFADHP CN(CCCC1CC[NH2+]CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000649413789 395489305 /nfs/dbraw/zinc/48/93/05/395489305.db2.gz FRLTXCGDZVFAJN-KRWDZBQOSA-N 2 3 281.488 2.572 20 0 CFADHP C[C@H]([NH2+]CCCN1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000037209581 543027846 /nfs/dbraw/zinc/02/78/46/543027846.db2.gz DUVVIJXCJYJKPB-HOTGVXAUSA-N 2 3 281.488 2.571 20 0 CFADHP CN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000401164541 413164551 /nfs/dbraw/zinc/16/45/51/413164551.db2.gz URYBWEFLNMKKND-YESZJQIVSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753119 500933519 /nfs/dbraw/zinc/93/35/19/500933519.db2.gz YXSBBXGDGFWCRY-MAUKXSAKSA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)CC[NH+]1CCC(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422839464 527725366 /nfs/dbraw/zinc/72/53/66/527725366.db2.gz QCRSIMGXQJQLGX-WMZOPIPTSA-N 2 3 295.515 2.865 20 0 CFADHP CCC[N@@H+]1CC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615299 618319992 /nfs/dbraw/zinc/31/99/92/618319992.db2.gz YUHZIJZLDMBELQ-SJLPKXTDSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@H+]1CC[C@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615299 618319996 /nfs/dbraw/zinc/31/99/96/618319996.db2.gz YUHZIJZLDMBELQ-SJLPKXTDSA-N 2 3 289.467 2.788 20 0 CFADHP CCCN1CC[C@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615299 618319998 /nfs/dbraw/zinc/31/99/98/618319998.db2.gz YUHZIJZLDMBELQ-SJLPKXTDSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@@H+]1CC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615298 618320428 /nfs/dbraw/zinc/32/04/28/618320428.db2.gz YUHZIJZLDMBELQ-FUHWJXTLSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@H+]1CC[C@@H](CN[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615298 618320437 /nfs/dbraw/zinc/32/04/37/618320437.db2.gz YUHZIJZLDMBELQ-FUHWJXTLSA-N 2 3 289.467 2.788 20 0 CFADHP CCCN1CC[C@@H](C[NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615298 618320442 /nfs/dbraw/zinc/32/04/42/618320442.db2.gz YUHZIJZLDMBELQ-FUHWJXTLSA-N 2 3 289.467 2.788 20 0 CFADHP CC1CC[NH+](C[C@H]2CCCN(C[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000903442011 621382981 /nfs/dbraw/zinc/38/29/81/621382981.db2.gz FPRMPHUMKLNPHS-KURKYZTESA-N 2 3 293.499 2.558 20 0 CFADHP C[C@H]([NH3+])c1ccc(C[NH2+]C[C@@H](N)CCC(C)(C)C)cc1 ZINC000904349579 621580333 /nfs/dbraw/zinc/58/03/33/621580333.db2.gz AVPSGYKTEYNUDL-BBRMVZONSA-N 2 3 277.456 2.950 20 0 CFADHP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCCNC1 ZINC000904384638 621588687 /nfs/dbraw/zinc/58/86/87/621588687.db2.gz KWGLEGPDTCONAO-GOSISDBHSA-N 2 3 295.515 2.676 20 0 CFADHP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@]1(C)CCCNC1 ZINC000904384638 621588690 /nfs/dbraw/zinc/58/86/90/621588690.db2.gz KWGLEGPDTCONAO-GOSISDBHSA-N 2 3 295.515 2.676 20 0 CFADHP CN(CCCC[NH+]1CCCCC1)C[C@]1(C)CCC[NH2+]C1 ZINC000904385717 621588794 /nfs/dbraw/zinc/58/87/94/621588794.db2.gz CPPVZHIVQHADPK-QGZVFWFLSA-N 2 3 281.488 2.574 20 0 CFADHP C[N@H+](CCCC[NH+]1CCCCC1)C[C@]1(C)CCCNC1 ZINC000904385717 621588796 /nfs/dbraw/zinc/58/87/96/621588796.db2.gz CPPVZHIVQHADPK-QGZVFWFLSA-N 2 3 281.488 2.574 20 0 CFADHP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@]1(C)CCCNC1 ZINC000904385717 621588797 /nfs/dbraw/zinc/58/87/97/621588797.db2.gz CPPVZHIVQHADPK-QGZVFWFLSA-N 2 3 281.488 2.574 20 0 CFADHP CC[C@@H](NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000817898690 632723375 /nfs/dbraw/zinc/72/33/75/632723375.db2.gz ACKCGHCBCZAHQQ-HIEASXQVSA-N 2 3 293.499 2.904 20 0 CFADHP CC[NH+](CC)Cc1cc([C@H](C)NCCC[NH3+])ccc1OC ZINC000817938046 632742986 /nfs/dbraw/zinc/74/29/86/632742986.db2.gz CJZJCIYYGQUHQP-AWEZNQCLSA-N 2 3 293.455 2.536 20 0 CFADHP CC(C)[C@H](CN)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231978 642084850 /nfs/dbraw/zinc/08/48/50/642084850.db2.gz HZSJTVOGYAUHCF-NXHRZFHOSA-N 2 3 295.515 2.837 20 0 CFADHP CC(C)[C@H](CN)C[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000873231978 642084854 /nfs/dbraw/zinc/08/48/54/642084854.db2.gz HZSJTVOGYAUHCF-NXHRZFHOSA-N 2 3 295.515 2.837 20 0 CFADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925552103 648213415 /nfs/dbraw/zinc/21/34/15/648213415.db2.gz GXDVHPNPHUJSOP-JKSUJKDBSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNC12CCC2 ZINC000925552103 648213419 /nfs/dbraw/zinc/21/34/19/648213419.db2.gz GXDVHPNPHUJSOP-JKSUJKDBSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000925820466 648333477 /nfs/dbraw/zinc/33/34/77/648333477.db2.gz CSZIEKUDGBUVKR-ZLZJIPBDSA-N 2 3 293.499 2.904 20 0 CFADHP CC[C@H]([NH3+])CN(Cc1ccc(C)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236714924 778920921 /nfs/dbraw/zinc/92/09/21/778920921.db2.gz PMTUGHMFBJRNRC-BZSNNMDCSA-N 2 3 289.467 2.804 20 0 CFADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423165624 530060992 /nfs/dbraw/zinc/06/09/92/530060992.db2.gz BHPRQTVDWNGCAU-BRSBDYLESA-N 2 3 293.499 2.619 20 0 CFADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCCN2)C1 ZINC000423165624 530060993 /nfs/dbraw/zinc/06/09/93/530060993.db2.gz BHPRQTVDWNGCAU-BRSBDYLESA-N 2 3 293.499 2.619 20 0 CFADHP CC1CC[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339067703 540283131 /nfs/dbraw/zinc/28/31/31/540283131.db2.gz KTKUKJFDOXKEBP-MSOLQXFVSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339067703 540283133 /nfs/dbraw/zinc/28/31/33/540283133.db2.gz KTKUKJFDOXKEBP-MSOLQXFVSA-N 2 3 293.499 2.715 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)CC1 ZINC000339067703 540283135 /nfs/dbraw/zinc/28/31/35/540283135.db2.gz KTKUKJFDOXKEBP-MSOLQXFVSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070115 540284100 /nfs/dbraw/zinc/28/41/00/540284100.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339070115 540284103 /nfs/dbraw/zinc/28/41/03/540284103.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339070115 540284104 /nfs/dbraw/zinc/28/41/04/540284104.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339070115 540284105 /nfs/dbraw/zinc/28/41/05/540284105.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000339070115 540284108 /nfs/dbraw/zinc/28/41/08/540284108.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@@H]2C1 ZINC000339070115 540284109 /nfs/dbraw/zinc/28/41/09/540284109.db2.gz WRRWOMURTXFWPI-FGTMMUONSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422883779 237306689 /nfs/dbraw/zinc/30/66/89/237306689.db2.gz RBQKBFNVFJWQTN-IXDOHACOSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2CN)C1 ZINC000422883779 237306692 /nfs/dbraw/zinc/30/66/92/237306692.db2.gz RBQKBFNVFJWQTN-IXDOHACOSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000675750415 541688172 /nfs/dbraw/zinc/68/81/72/541688172.db2.gz KGZJFXJKJJPIMQ-BRWVUGGUSA-N 2 3 295.515 2.674 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000333304530 205201750 /nfs/dbraw/zinc/20/17/50/205201750.db2.gz QPOIPRFOXAJEMV-KFGODFMUSA-N 2 3 293.499 2.652 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000089147741 284738539 /nfs/dbraw/zinc/73/85/39/284738539.db2.gz PWHBIWNWQVDWOZ-QAPCUYQASA-N 2 3 289.467 2.745 20 0 CFADHP C[C@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698573 379786394 /nfs/dbraw/zinc/78/63/94/379786394.db2.gz KNLZAMMWLCDEKN-MMIPBJDJSA-N 2 3 293.499 2.889 20 0 CFADHP CC(C)(C)N1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000415020497 381715341 /nfs/dbraw/zinc/71/53/41/381715341.db2.gz GMSBQMLAONAXGW-SHTZXODSSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415027375 381719715 /nfs/dbraw/zinc/71/97/15/381719715.db2.gz WNUGYNCJIJELCX-BFYDXBDKSA-N 2 3 281.488 2.747 20 0 CFADHP [NH3+][C@@H]1C[C@@H](NCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134563 383044060 /nfs/dbraw/zinc/04/40/60/383044060.db2.gz MPZLVKXMGBSPTD-QZTJIDSGSA-N 2 3 287.451 2.987 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000249933901 383367041 /nfs/dbraw/zinc/36/70/41/383367041.db2.gz FMZNNOLZLIKKLO-ULQDDVLXSA-N 2 3 281.488 2.713 20 0 CFADHP CN(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000401164539 413163909 /nfs/dbraw/zinc/16/39/09/413163909.db2.gz URYBWEFLNMKKND-GVDBMIGSSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879972 287022557 /nfs/dbraw/zinc/02/25/57/287022557.db2.gz LESDPNCVAWXFSZ-ZACQAIPSSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879972 287022558 /nfs/dbraw/zinc/02/25/58/287022558.db2.gz LESDPNCVAWXFSZ-ZACQAIPSSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H]1CCC[C@@H](N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699382 278347522 /nfs/dbraw/zinc/34/75/22/278347522.db2.gz LMVMEMZTXFUAPN-MMIPBJDJSA-N 2 3 293.499 2.889 20 0 CFADHP [NH3+][C@H]1CCC[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626732 324760867 /nfs/dbraw/zinc/76/08/67/324760867.db2.gz QIXTZRCRGBAQSL-ROUUACIJSA-N 2 3 287.451 2.642 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735152 527848240 /nfs/dbraw/zinc/84/82/40/527848240.db2.gz DKQGFZAEQQIMSQ-YJBOKZPZSA-N 2 3 289.467 2.616 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422735152 527848242 /nfs/dbraw/zinc/84/82/42/527848242.db2.gz DKQGFZAEQQIMSQ-YJBOKZPZSA-N 2 3 289.467 2.616 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCC[NH3+] ZINC000422840625 528172991 /nfs/dbraw/zinc/17/29/91/528172991.db2.gz UFBNBCNFBXTNCT-OWCLPIDISA-N 2 3 269.477 2.604 20 0 CFADHP CCC[N@@H+]1CC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615295 618320771 /nfs/dbraw/zinc/32/07/71/618320771.db2.gz YUHZIJZLDMBELQ-AEFFLSMTSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@H+]1CC[C@H](CN[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615295 618320780 /nfs/dbraw/zinc/32/07/80/618320780.db2.gz YUHZIJZLDMBELQ-AEFFLSMTSA-N 2 3 289.467 2.788 20 0 CFADHP CCCN1CC[C@H](C[NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925615295 618320782 /nfs/dbraw/zinc/32/07/82/618320782.db2.gz YUHZIJZLDMBELQ-AEFFLSMTSA-N 2 3 289.467 2.788 20 0 CFADHP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697323 618950966 /nfs/dbraw/zinc/95/09/66/618950966.db2.gz DMSYQLHSPHNROF-MAZHCROVSA-N 2 3 275.440 2.702 20 0 CFADHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000893489564 619016333 /nfs/dbraw/zinc/01/63/33/619016333.db2.gz ZCUDRDZCFBVZTN-WBVHZDCISA-N 2 3 293.499 2.571 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327659 621037334 /nfs/dbraw/zinc/03/73/34/621037334.db2.gz FZAZFWDABYMAOM-GJZGRUSLSA-N 2 3 283.504 2.721 20 0 CFADHP [NH3+][C@@H]1CC[C@H](CN2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000903442437 621382471 /nfs/dbraw/zinc/38/24/71/621382471.db2.gz QJIQCAGYBLTFEB-RCCFBDPRSA-N 2 3 293.499 2.702 20 0 CFADHP C[C@@H](CN[C@H](CCC[NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000925479652 624714089 /nfs/dbraw/zinc/71/40/89/624714089.db2.gz JEHAJQNOAQGSBG-FUHWJXTLSA-N 2 3 289.467 2.788 20 0 CFADHP CCC[N@H+](C)C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325697 626466658 /nfs/dbraw/zinc/46/66/58/626466658.db2.gz GBTIGDKBWSKICT-KCBNDJSGSA-N 2 3 293.499 2.571 20 0 CFADHP CCC[N@@H+](C)C[C@H]1CCN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325697 626466660 /nfs/dbraw/zinc/46/66/60/626466660.db2.gz GBTIGDKBWSKICT-KCBNDJSGSA-N 2 3 293.499 2.571 20 0 CFADHP CCCN(C)C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325697 626466662 /nfs/dbraw/zinc/46/66/62/626466662.db2.gz GBTIGDKBWSKICT-KCBNDJSGSA-N 2 3 293.499 2.571 20 0 CFADHP CCCN(C)C[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923325697 626466664 /nfs/dbraw/zinc/46/66/64/626466664.db2.gz GBTIGDKBWSKICT-KCBNDJSGSA-N 2 3 293.499 2.571 20 0 CFADHP [NH3+]CCCCCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000844221299 632136732 /nfs/dbraw/zinc/13/67/32/632136732.db2.gz MKSVKFJAHQPUDK-QGZVFWFLSA-N 2 3 281.488 2.846 20 0 CFADHP [NH3+]C1CCC([NH2+]C2CCN(CC3CCCCC3)CC2)CC1 ZINC000817897137 632722004 /nfs/dbraw/zinc/72/20/04/632722004.db2.gz GEQKRRSJPDVQTA-UHFFFAOYSA-N 2 3 293.499 2.891 20 0 CFADHP C[C@]1(CN2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232690 642086807 /nfs/dbraw/zinc/08/68/07/642086807.db2.gz WRTPCASTVYSOTB-SZMVWBNQSA-N 2 3 293.499 2.606 20 0 CFADHP C[C@]1(CN2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232688 642087272 /nfs/dbraw/zinc/08/72/72/642087272.db2.gz WRTPCASTVYSOTB-NJAFHUGGSA-N 2 3 293.499 2.606 20 0 CFADHP [NH3+]C12CC(CC[N@H+](C[C@@H]3CCCNC3)C3CCCC3)(C1)C2 ZINC001236372639 778795655 /nfs/dbraw/zinc/79/56/55/778795655.db2.gz RLWDHWSQGOFNLT-FAEJEUNOSA-N 2 3 291.483 2.502 20 0 CFADHP [NH3+]C12CC(CC[N@@H+](C[C@@H]3CCCNC3)C3CCCC3)(C1)C2 ZINC001236372639 778795657 /nfs/dbraw/zinc/79/56/57/778795657.db2.gz RLWDHWSQGOFNLT-FAEJEUNOSA-N 2 3 291.483 2.502 20 0 CFADHP CC[C@@H](N)C[NH+]1CCC(CC2CC[NH+](CC)CC2)CC1 ZINC001236191992 778732109 /nfs/dbraw/zinc/73/21/09/778732109.db2.gz FDNVFJKDRFYVNM-QGZVFWFLSA-N 2 3 281.488 2.558 20 0 CFADHP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423165625 530061012 /nfs/dbraw/zinc/06/10/12/530061012.db2.gz BHPRQTVDWNGCAU-VSZNYVQBSA-N 2 3 293.499 2.619 20 0 CFADHP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)C1 ZINC000423165625 530061013 /nfs/dbraw/zinc/06/10/13/530061013.db2.gz BHPRQTVDWNGCAU-VSZNYVQBSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782290 237202870 /nfs/dbraw/zinc/20/28/70/237202870.db2.gz GGHYYNQAWXJIEM-HOTGVXAUSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422883775 237305718 /nfs/dbraw/zinc/30/57/18/237305718.db2.gz RBQKBFNVFJWQTN-BRWVUGGUSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2CN)C1 ZINC000422883775 237305726 /nfs/dbraw/zinc/30/57/26/237305726.db2.gz RBQKBFNVFJWQTN-BRWVUGGUSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422887454 237309541 /nfs/dbraw/zinc/30/95/41/237309541.db2.gz YSTRZZCHJFNWJV-IXDOHACOSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCNCC[C@H]1C ZINC000422887454 237309550 /nfs/dbraw/zinc/30/95/50/237309550.db2.gz YSTRZZCHJFNWJV-IXDOHACOSA-N 2 3 281.488 2.619 20 0 CFADHP C(CC1CCN(C[C@H]2CCC[NH2+]C2)CC1)C[NH+]1CCCC1 ZINC000347004410 380872220 /nfs/dbraw/zinc/87/22/20/380872220.db2.gz NRIAZJBIGXRBLD-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP C(CC1CC[NH+](C[C@H]2CCCNC2)CC1)C[NH+]1CCCC1 ZINC000347004410 380872226 /nfs/dbraw/zinc/87/22/26/380872226.db2.gz NRIAZJBIGXRBLD-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP CC(C)[NH+]1CCC(N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000415056662 381742345 /nfs/dbraw/zinc/74/23/45/381742345.db2.gz QCYASUFHSIQPMT-GOSISDBHSA-N 2 3 289.467 2.929 20 0 CFADHP CN(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCCC1 ZINC000423031870 383021144 /nfs/dbraw/zinc/02/11/44/383021144.db2.gz DVMXPJLSOJRKKI-IXDOHACOSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000414826702 393805366 /nfs/dbraw/zinc/80/53/66/393805366.db2.gz GAVRLADYKJXTGG-SOLBZPMBSA-N 2 3 293.499 2.619 20 0 CFADHP C[NH+]1CCC2(CCCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000374074471 157064742 /nfs/dbraw/zinc/06/47/42/157064742.db2.gz KVCCVSVRYLMGQY-UHFFFAOYSA-N 2 3 293.499 2.670 20 0 CFADHP C[NH2+]C[C@H](C)NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000665298518 414273622 /nfs/dbraw/zinc/27/36/22/414273622.db2.gz XHNFHBRKLKLRSB-ZLPCBKJTSA-N 2 3 289.467 2.627 20 0 CFADHP C[NH2+]C[C@H](C)NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000665298518 414273629 /nfs/dbraw/zinc/27/36/29/414273629.db2.gz XHNFHBRKLKLRSB-ZLPCBKJTSA-N 2 3 289.467 2.627 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583823379 325313525 /nfs/dbraw/zinc/31/35/25/325313525.db2.gz VKQHQZCWHKZJQZ-QZTJIDSGSA-N 2 3 289.467 2.888 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000583823378 325313726 /nfs/dbraw/zinc/31/37/26/325313726.db2.gz VKQHQZCWHKZJQZ-MSOLQXFVSA-N 2 3 289.467 2.888 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422784823 528190941 /nfs/dbraw/zinc/19/09/41/528190941.db2.gz MJPPUPRYHSOVIO-LSDHHAIUSA-N 2 3 277.456 2.744 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@]2(C)CCCNC2)CC1 ZINC000904366367 621586107 /nfs/dbraw/zinc/58/61/07/621586107.db2.gz IRVHOOPMNHLVKH-GOSISDBHSA-N 2 3 295.515 2.724 20 0 CFADHP CC(C)[NH+]1CCC(CCN[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000873243566 642092143 /nfs/dbraw/zinc/09/21/43/642092143.db2.gz YJLIPYNPJNHOFA-RDJZCZTQSA-N 2 3 281.488 2.617 20 0 CFADHP C[NH+](C)[C@@H]1CCC[C@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543140 648209459 /nfs/dbraw/zinc/20/94/59/648209459.db2.gz QYHWZGCOASHMSV-KSZLIROESA-N 2 3 289.467 2.929 20 0 CFADHP CN(C)[C@@H]1CCC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543140 648209461 /nfs/dbraw/zinc/20/94/61/648209461.db2.gz QYHWZGCOASHMSV-KSZLIROESA-N 2 3 289.467 2.929 20 0 CFADHP CNCCC[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236753862 778928700 /nfs/dbraw/zinc/92/87/00/778928700.db2.gz AEPYJXPGKQQDMK-QAQDUYKDSA-N 2 3 281.488 2.748 20 0 CFADHP CNCCC[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236753862 778928706 /nfs/dbraw/zinc/92/87/06/778928706.db2.gz AEPYJXPGKQQDMK-QAQDUYKDSA-N 2 3 281.488 2.748 20 0 CFADHP [NH3+]CCCCCCN1CCC2(CC1)[NH2+]Cc1ccccc12 ZINC001237359022 779083442 /nfs/dbraw/zinc/08/34/42/779083442.db2.gz MAKKUFUFIYJMSD-UHFFFAOYSA-N 2 3 287.451 2.600 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](N(C)C)C1 ZINC000715268753 779377908 /nfs/dbraw/zinc/37/79/08/779377908.db2.gz GPWLKGPMXHEKNB-GVDBMIGSSA-N 2 3 283.504 2.959 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093210489 347665382 /nfs/dbraw/zinc/66/53/82/347665382.db2.gz QHNGELTWUDXHSG-QZTJIDSGSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339069053 540283548 /nfs/dbraw/zinc/28/35/48/540283548.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCCN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339069053 540283549 /nfs/dbraw/zinc/28/35/49/540283549.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339069053 540283553 /nfs/dbraw/zinc/28/35/53/540283553.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339069053 540283556 /nfs/dbraw/zinc/28/35/56/540283556.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339069053 540283559 /nfs/dbraw/zinc/28/35/59/540283559.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN3CCC[C@@H]3C2)C1 ZINC000339069053 540283562 /nfs/dbraw/zinc/28/35/62/540283562.db2.gz QOYHYOSOOOXWTI-FGTMMUONSA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@H]1CCCN(C2CCC2)C1 ZINC000423040834 296113946 /nfs/dbraw/zinc/11/39/46/296113946.db2.gz ICCYWJKHLFLNSX-GYXIZQIFSA-N 2 3 293.499 2.747 20 0 CFADHP C[C@@H](NCCCC[NH+]1CCC(C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422874401 296121623 /nfs/dbraw/zinc/12/16/23/296121623.db2.gz CSUAEKMAQBPHIP-IAGOWNOFSA-N 2 3 281.488 2.619 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938140 376996964 /nfs/dbraw/zinc/99/69/64/376996964.db2.gz IFODKDOYOIOSDK-MAUKXSAKSA-N 2 3 289.467 2.568 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000123938140 376996966 /nfs/dbraw/zinc/99/69/66/376996966.db2.gz IFODKDOYOIOSDK-MAUKXSAKSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000123938140 376996968 /nfs/dbraw/zinc/99/69/68/376996968.db2.gz IFODKDOYOIOSDK-MAUKXSAKSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000123938140 376996972 /nfs/dbraw/zinc/99/69/72/376996972.db2.gz IFODKDOYOIOSDK-MAUKXSAKSA-N 2 3 289.467 2.568 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000154411352 378564387 /nfs/dbraw/zinc/56/43/87/378564387.db2.gz JDJDYOFIGLPAOC-QGZVFWFLSA-N 2 3 281.488 2.525 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000154411352 378564390 /nfs/dbraw/zinc/56/43/90/378564390.db2.gz JDJDYOFIGLPAOC-QGZVFWFLSA-N 2 3 281.488 2.525 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+]CCCN(C)C1CCCCC1 ZINC000336818103 380682143 /nfs/dbraw/zinc/68/21/43/380682143.db2.gz UBMHPYSDHNRVKQ-OAHLLOKOSA-N 2 3 269.477 2.748 20 0 CFADHP CC(C)C[C@H](N)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000414708084 381600150 /nfs/dbraw/zinc/60/01/50/381600150.db2.gz ORDVXKYPMUNJHM-SFHVURJKSA-N 2 3 295.515 2.948 20 0 CFADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415058180 381745447 /nfs/dbraw/zinc/74/54/47/381745447.db2.gz SXOBWMOUMFTDAE-OIISXLGYSA-N 2 3 275.440 2.587 20 0 CFADHP C[C@@H](CC[NH2+][C@@H](C)C1CC[NH+](C)CC1)N1CCCCC1 ZINC000680353631 542311409 /nfs/dbraw/zinc/31/14/09/542311409.db2.gz IXSONCJQVACUQC-HOTGVXAUSA-N 2 3 281.488 2.571 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000415033755 296329223 /nfs/dbraw/zinc/32/92/23/296329223.db2.gz JHQDJHNNACWIHR-AHCXZYCDSA-N 2 3 293.499 2.747 20 0 CFADHP [NH3+][C@H]1C[C@@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084472 383041016 /nfs/dbraw/zinc/04/10/16/383041016.db2.gz IARBTKCPPLIDEN-ZWKOTPCHSA-N 2 3 285.435 2.595 20 0 CFADHP C[N@H+](CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158802 383046655 /nfs/dbraw/zinc/04/66/55/383046655.db2.gz DJQKTBQDPVJANJ-SJORKVTESA-N 2 3 273.424 2.595 20 0 CFADHP C[N@@H+](CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158802 383046659 /nfs/dbraw/zinc/04/66/59/383046659.db2.gz DJQKTBQDPVJANJ-SJORKVTESA-N 2 3 273.424 2.595 20 0 CFADHP C[N@H+](CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158801 383046877 /nfs/dbraw/zinc/04/68/77/383046877.db2.gz DJQKTBQDPVJANJ-IRXDYDNUSA-N 2 3 273.424 2.595 20 0 CFADHP C[N@@H+](CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000423158801 383046880 /nfs/dbraw/zinc/04/68/80/383046880.db2.gz DJQKTBQDPVJANJ-IRXDYDNUSA-N 2 3 273.424 2.595 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248349 383381917 /nfs/dbraw/zinc/38/19/17/383381917.db2.gz OIKLSCBGLAAJTK-MSOLQXFVSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568248349 383381919 /nfs/dbraw/zinc/38/19/19/383381919.db2.gz OIKLSCBGLAAJTK-MSOLQXFVSA-N 2 3 289.467 2.886 20 0 CFADHP C[C@@H](NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422874403 287021860 /nfs/dbraw/zinc/02/18/60/287021860.db2.gz CSUAEKMAQBPHIP-SJORKVTESA-N 2 3 281.488 2.619 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000333304533 295275463 /nfs/dbraw/zinc/27/54/63/295275463.db2.gz QPOIPRFOXAJEMV-NNPSNHGLSA-N 2 3 293.499 2.652 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000576598113 324636285 /nfs/dbraw/zinc/63/62/85/324636285.db2.gz FWAANSDXCSLGCH-IAGOWNOFSA-N 2 3 281.488 2.604 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422882103 533797143 /nfs/dbraw/zinc/79/71/43/533797143.db2.gz PAFLYZUBEJYPGV-MHORFTMASA-N 2 3 295.515 2.852 20 0 CFADHP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCC[C@H]2CN)C1 ZINC000422882103 533797147 /nfs/dbraw/zinc/79/71/47/533797147.db2.gz PAFLYZUBEJYPGV-MHORFTMASA-N 2 3 295.515 2.852 20 0 CFADHP CC[NH+](CC)Cc1ccc(CN[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422784822 528191321 /nfs/dbraw/zinc/19/13/21/528191321.db2.gz MJPPUPRYHSOVIO-HUUCEWRRSA-N 2 3 277.456 2.744 20 0 CFADHP CC1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000422878442 528236801 /nfs/dbraw/zinc/23/68/01/528236801.db2.gz JDMDMDJVTRJOIU-SJORKVTESA-N 2 3 281.488 2.606 20 0 CFADHP CC(C)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250491728 619164436 /nfs/dbraw/zinc/16/44/36/619164436.db2.gz HHCHMZFDGVRVFL-KZNAEPCWSA-N 2 3 293.499 2.760 20 0 CFADHP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144077 619968111 /nfs/dbraw/zinc/96/81/11/619968111.db2.gz SSUNPJVGMCWNQG-RLFYNMQTSA-N 2 3 289.467 2.882 20 0 CFADHP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(C[NH+](C)C)c1 ZINC000925144077 619968113 /nfs/dbraw/zinc/96/81/13/619968113.db2.gz SSUNPJVGMCWNQG-RLFYNMQTSA-N 2 3 289.467 2.882 20 0 CFADHP NC[C@@H]1CCC[C@@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817900248 632724048 /nfs/dbraw/zinc/72/40/48/632724048.db2.gz LQQORKIYFXFJBS-OTBWCIGPSA-N 2 3 279.472 2.501 20 0 CFADHP [NH3+][C@H](C[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000872156239 641676918 /nfs/dbraw/zinc/67/69/18/641676918.db2.gz GUURGYLHRWPSDR-LZLYRXPVSA-N 2 3 293.499 2.606 20 0 CFADHP CC[C@@H](NC1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000925820652 648333699 /nfs/dbraw/zinc/33/36/99/648333699.db2.gz DZDNNENXNKGLDF-UMQBVGHOSA-N 2 3 293.499 2.904 20 0 CFADHP C[N@@H+]1CCC[C@H](CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369822 778794118 /nfs/dbraw/zinc/79/41/18/778794118.db2.gz DIWYNBHGHZOZCP-SJORKVTESA-N 2 3 293.499 2.572 20 0 CFADHP C[N@H+]1CCC[C@H](CN(C[C@@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369822 778794121 /nfs/dbraw/zinc/79/41/21/778794121.db2.gz DIWYNBHGHZOZCP-SJORKVTESA-N 2 3 293.499 2.572 20 0 CFADHP CN1CCC=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)C1 ZINC001241570882 780988114 /nfs/dbraw/zinc/98/81/14/780988114.db2.gz PPFZPLRROTVGJW-UHFFFAOYSA-N 2 3 299.462 2.576 20 0 CFADHP CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCCN2)CC1 ZINC000093491250 347677172 /nfs/dbraw/zinc/67/71/72/347677172.db2.gz MWHIJJHTUXBARQ-FGTMMUONSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070119 540283902 /nfs/dbraw/zinc/28/39/02/540283902.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070119 540283905 /nfs/dbraw/zinc/28/39/05/540283905.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070119 540283908 /nfs/dbraw/zinc/28/39/08/540283908.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070119 540283911 /nfs/dbraw/zinc/28/39/11/540283911.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339070119 540283916 /nfs/dbraw/zinc/28/39/16/540283916.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCN2CCC[C@H]2C1 ZINC000339070119 540283919 /nfs/dbraw/zinc/28/39/19/540283919.db2.gz WRRWOMURTXFWPI-SQNIBIBYSA-N 2 3 293.499 2.857 20 0 CFADHP C(CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595446 540377186 /nfs/dbraw/zinc/37/71/86/540377186.db2.gz QZYMDVQSZOWYBA-QZTJIDSGSA-N 2 3 293.499 2.859 20 0 CFADHP C(CCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595446 540377188 /nfs/dbraw/zinc/37/71/88/540377188.db2.gz QZYMDVQSZOWYBA-QZTJIDSGSA-N 2 3 293.499 2.859 20 0 CFADHP C(CC[NH2+][C@@H]1CCN2CCC[C@@H]2C1)CC[NH+]1CCCCC1 ZINC000166595446 540377193 /nfs/dbraw/zinc/37/71/93/540377193.db2.gz QZYMDVQSZOWYBA-QZTJIDSGSA-N 2 3 293.499 2.859 20 0 CFADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722692 237138666 /nfs/dbraw/zinc/13/86/66/237138666.db2.gz YNMQUWBMKDCOQP-SJORKVTESA-N 2 3 281.488 2.750 20 0 CFADHP C[C@H]([NH2+]CCCN1C[C@H](C)C[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000158690631 540976666 /nfs/dbraw/zinc/97/66/66/540976666.db2.gz KGZJFXJKJJPIMQ-ZACQAIPSSA-N 2 3 295.515 2.674 20 0 CFADHP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000423040835 296113983 /nfs/dbraw/zinc/11/39/83/296113983.db2.gz ICCYWJKHLFLNSX-KZYLPZIUSA-N 2 3 293.499 2.747 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879783 296121578 /nfs/dbraw/zinc/12/15/78/296121578.db2.gz LESDPNCVAWXFSZ-BBWFWOEESA-N 2 3 281.488 2.761 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879783 296121580 /nfs/dbraw/zinc/12/15/80/296121580.db2.gz LESDPNCVAWXFSZ-BBWFWOEESA-N 2 3 281.488 2.761 20 0 CFADHP C[NH+](C)C1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000335030153 393635238 /nfs/dbraw/zinc/63/52/38/393635238.db2.gz RFIUVCILWYINCN-DNDXXGFKSA-N 2 3 273.424 2.594 20 0 CFADHP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000459723580 393886107 /nfs/dbraw/zinc/88/61/07/393886107.db2.gz AERAQXHSHVCXRB-OAHLLOKOSA-N 2 3 281.488 2.571 20 0 CFADHP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000459723580 393886110 /nfs/dbraw/zinc/88/61/10/393886110.db2.gz AERAQXHSHVCXRB-OAHLLOKOSA-N 2 3 281.488 2.571 20 0 CFADHP C[C@H]([NH2+]C1CC(C)(C)NC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000037221215 543027619 /nfs/dbraw/zinc/02/76/19/543027619.db2.gz SFNQTPZRFIAADY-ZDUSSCGKSA-N 2 3 281.488 2.616 20 0 CFADHP C[C@@H](NCCCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878031 287022525 /nfs/dbraw/zinc/02/25/25/287022525.db2.gz IRTDOWJXQWZOCL-BBWFWOEESA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H](NCCCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CCCC[NH2+]1 ZINC000422878031 287022526 /nfs/dbraw/zinc/02/25/26/287022526.db2.gz IRTDOWJXQWZOCL-BBWFWOEESA-N 2 3 281.488 2.619 20 0 CFADHP N[C@@H]1CCC[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC000515311042 270367458 /nfs/dbraw/zinc/36/74/58/270367458.db2.gz AQUKCGDWZDTHCN-CVEARBPZSA-N 2 3 267.461 2.502 20 0 CFADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCCN2)CC1 ZINC000261596536 289874066 /nfs/dbraw/zinc/87/40/66/289874066.db2.gz KJJVLDBTEHOWGA-GVDBMIGSSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCNCC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422723187 534071803 /nfs/dbraw/zinc/07/18/03/534071803.db2.gz ZUUZUFJWHSKWJB-IAGOWNOFSA-N 2 3 281.488 2.620 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCN2CCC[C@@H]2C1 ZINC000127698309 520636622 /nfs/dbraw/zinc/63/66/22/520636622.db2.gz FMZNNOLZLIKKLO-GVDBMIGSSA-N 2 3 281.488 2.713 20 0 CFADHP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCCC[NH3+])CC1 ZINC000423329960 527646451 /nfs/dbraw/zinc/64/64/51/527646451.db2.gz PCZSBWWEMOOWDB-UHFFFAOYSA-N 2 3 283.504 2.994 20 0 CFADHP CC(C)(C)CC(C)(C)N1CCC([NH2+]CCCC[NH3+])CC1 ZINC000423329960 527646456 /nfs/dbraw/zinc/64/64/56/527646456.db2.gz PCZSBWWEMOOWDB-UHFFFAOYSA-N 2 3 283.504 2.994 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCNCC[C@H]2C)CC1 ZINC000422829396 527724741 /nfs/dbraw/zinc/72/47/41/527724741.db2.gz BYGRAWCQYAUYPU-SJLPKXTDSA-N 2 3 295.515 2.722 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422690028 528195241 /nfs/dbraw/zinc/19/52/41/528195241.db2.gz GBPIMDLHSSMTAE-GJZGRUSLSA-N 2 3 277.456 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422914663 528834119 /nfs/dbraw/zinc/83/41/19/528834119.db2.gz VJGWVCOYPSDEQY-GJZGRUSLSA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422914663 528834124 /nfs/dbraw/zinc/83/41/24/528834124.db2.gz VJGWVCOYPSDEQY-GJZGRUSLSA-N 2 3 277.456 2.742 20 0 CFADHP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCN(C2CCC2)C1 ZINC000893489562 619016557 /nfs/dbraw/zinc/01/65/57/619016557.db2.gz ZCUDRDZCFBVZTN-NVXWUHKLSA-N 2 3 293.499 2.571 20 0 CFADHP C[C@@H](NCCCCCC1CC[NH2+]CC1)[C@H]1CCCC[NH2+]1 ZINC000925808021 619127629 /nfs/dbraw/zinc/12/76/29/619127629.db2.gz MITDFFJZVBMJLH-NVXWUHKLSA-N 2 3 281.488 2.667 20 0 CFADHP C[C@@H]([NH3+])c1ccc(C[NH2+]C[C@@H](N)CCC(C)(C)C)cc1 ZINC000904349581 621580472 /nfs/dbraw/zinc/58/04/72/621580472.db2.gz AVPSGYKTEYNUDL-CJNGLKHVSA-N 2 3 277.456 2.950 20 0 CFADHP NC[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000817901067 632724037 /nfs/dbraw/zinc/72/40/37/632724037.db2.gz SDABWZATZOJVRJ-AQEOSJORSA-N 2 3 293.499 2.891 20 0 CFADHP CCCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000249978173 650969948 /nfs/dbraw/zinc/96/99/48/650969948.db2.gz LUOMIZGGIPSHSL-KZNAEPCWSA-N 2 3 293.499 2.761 20 0 CFADHP CCC1(N2CCC2)CC[NH+](CCCCCCC[NH3+])CC1 ZINC000886860045 647162592 /nfs/dbraw/zinc/16/25/92/647162592.db2.gz OWXLGFZUTRLREB-UHFFFAOYSA-N 2 3 281.488 2.846 20 0 CFADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925808384 648330295 /nfs/dbraw/zinc/33/02/95/648330295.db2.gz NHUHBIBEHPWWAH-DLBZAZTESA-N 2 3 281.488 2.654 20 0 CFADHP CN(C)CC(C)(C)C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371898 778795077 /nfs/dbraw/zinc/79/50/77/778795077.db2.gz ODBORPPCULSMRZ-INIZCTEOSA-N 2 3 295.515 2.818 20 0 CFADHP CN(C)CC(C)(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236371898 778795084 /nfs/dbraw/zinc/79/50/84/778795084.db2.gz ODBORPPCULSMRZ-INIZCTEOSA-N 2 3 295.515 2.818 20 0 CFADHP C(C[N@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371862 778795333 /nfs/dbraw/zinc/79/53/33/778795333.db2.gz NVQYBDOLMRFZCI-DLBZAZTESA-N 2 3 293.499 2.620 20 0 CFADHP C(C[N@@H+](C[C@@H]1CCCNC1)C1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC001236371862 778795336 /nfs/dbraw/zinc/79/53/36/778795336.db2.gz NVQYBDOLMRFZCI-DLBZAZTESA-N 2 3 293.499 2.620 20 0 CFADHP [NH3+]CCC[N@H+](C1CCCCC1)C1CCN(CC2CC2)CC1 ZINC001168353667 778448036 /nfs/dbraw/zinc/44/80/36/778448036.db2.gz PROAXNRAWAQGMZ-UHFFFAOYSA-N 2 3 293.499 2.844 20 0 CFADHP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCN(CC2CC2)CC1 ZINC001168353667 778448040 /nfs/dbraw/zinc/44/80/40/778448040.db2.gz PROAXNRAWAQGMZ-UHFFFAOYSA-N 2 3 293.499 2.844 20 0 CFADHP CC[C@@H](N)C[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742792 778926074 /nfs/dbraw/zinc/92/60/74/778926074.db2.gz SJRUTCJPHKMVNW-BRWVUGGUSA-N 2 3 293.430 2.635 20 0 CFADHP CC[C@@H](N)C[N@@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236742792 778926078 /nfs/dbraw/zinc/92/60/78/778926078.db2.gz SJRUTCJPHKMVNW-BRWVUGGUSA-N 2 3 293.430 2.635 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069054 540284056 /nfs/dbraw/zinc/28/40/56/540284056.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCCN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339069054 540284059 /nfs/dbraw/zinc/28/40/59/540284059.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069054 540284061 /nfs/dbraw/zinc/28/40/61/540284061.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[NH+](CCCCN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339069054 540284064 /nfs/dbraw/zinc/28/40/64/540284064.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339069054 540284067 /nfs/dbraw/zinc/28/40/67/540284067.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN3CCC[C@H]3C2)C1 ZINC000339069054 540284069 /nfs/dbraw/zinc/28/40/69/540284069.db2.gz QOYHYOSOOOXWTI-KURKYZTESA-N 2 3 293.499 2.715 20 0 CFADHP C[C@H]1CCCC[N@@H+]1CCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878637 237298205 /nfs/dbraw/zinc/29/82/05/237298205.db2.gz JKXNTDOAXZSTTQ-PMRDEQMMSA-N 2 3 279.472 2.514 20 0 CFADHP C[C@H]1CCCC[N@H+]1CCCCNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422878637 237298209 /nfs/dbraw/zinc/29/82/09/237298209.db2.gz JKXNTDOAXZSTTQ-PMRDEQMMSA-N 2 3 279.472 2.514 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422887769 237307792 /nfs/dbraw/zinc/30/77/92/237307792.db2.gz ZJMNRWWIYALAGD-IKGGRYGDSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC[C@H]1CN ZINC000422887769 237307803 /nfs/dbraw/zinc/30/78/03/237307803.db2.gz ZJMNRWWIYALAGD-IKGGRYGDSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415058179 381743134 /nfs/dbraw/zinc/74/31/34/381743134.db2.gz SXOBWMOUMFTDAE-HYVNUMGLSA-N 2 3 275.440 2.587 20 0 CFADHP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000577351769 382856051 /nfs/dbraw/zinc/85/60/51/382856051.db2.gz HSLXZNBJZIQUTC-AWEZNQCLSA-N 2 3 287.451 2.670 20 0 CFADHP CCN(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841487 382984242 /nfs/dbraw/zinc/98/42/42/382984242.db2.gz VZYRRGXVYQOBPO-IKJBURDNSA-N 2 3 295.515 2.994 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540430 383111718 /nfs/dbraw/zinc/11/17/18/383111718.db2.gz YQMIMYYNTPPQND-ZWKOTPCHSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000584540430 383111723 /nfs/dbraw/zinc/11/17/23/383111723.db2.gz YQMIMYYNTPPQND-ZWKOTPCHSA-N 2 3 289.467 2.886 20 0 CFADHP CCC1([NH+]2CCCC2)CCN(C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000634998658 383453678 /nfs/dbraw/zinc/45/36/78/383453678.db2.gz JDLDLSVHCAXERK-SJORKVTESA-N 2 3 293.499 2.715 20 0 CFADHP C(C1CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000178980047 393450503 /nfs/dbraw/zinc/45/05/03/393450503.db2.gz UGBYOPCAYDIFAU-SFHVURJKSA-N 2 3 293.499 2.574 20 0 CFADHP C[NH+](C)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000423546096 394295610 /nfs/dbraw/zinc/29/56/10/394295610.db2.gz KENRVBSPNBVYGB-NUUXYWTLSA-N 2 3 293.499 2.760 20 0 CFADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422887453 278332091 /nfs/dbraw/zinc/33/20/91/278332091.db2.gz YSTRZZCHJFNWJV-IKGGRYGDSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNCC[C@H]1C ZINC000422887453 278332094 /nfs/dbraw/zinc/33/20/94/278332094.db2.gz YSTRZZCHJFNWJV-IKGGRYGDSA-N 2 3 281.488 2.619 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CC[C@H](C[NH3+])C3)CC2)C1 ZINC000415039355 278515064 /nfs/dbraw/zinc/51/50/64/278515064.db2.gz NXZVBMWBBYQTTE-ATLSCFEFSA-N 2 3 293.499 2.747 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914662 279384460 /nfs/dbraw/zinc/38/44/60/279384460.db2.gz VJGWVCOYPSDEQY-CABCVRRESA-N 2 3 277.456 2.742 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422914662 279384462 /nfs/dbraw/zinc/38/44/62/279384462.db2.gz VJGWVCOYPSDEQY-CABCVRRESA-N 2 3 277.456 2.742 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCC[C@@H](N)C3)CC2)CC1 ZINC000582915923 325246039 /nfs/dbraw/zinc/24/60/39/325246039.db2.gz JCXUEUGPFDQCJV-ZLZJIPBDSA-N 2 3 293.499 2.889 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738922 527848635 /nfs/dbraw/zinc/84/86/35/527848635.db2.gz KLIHLSMYKRIQBF-MSOLQXFVSA-N 2 3 289.467 2.745 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422738922 527848640 /nfs/dbraw/zinc/84/86/40/527848640.db2.gz KLIHLSMYKRIQBF-MSOLQXFVSA-N 2 3 289.467 2.745 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925701323 618954499 /nfs/dbraw/zinc/95/44/99/618954499.db2.gz XQAKXBNTBXDNKW-LAQRGFTBSA-N 2 3 293.499 2.509 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2CCC[C@H]2CN)CC1 ZINC000925824383 619145688 /nfs/dbraw/zinc/14/56/88/619145688.db2.gz SHTBPSAPUXQYAG-SOEBMCCKSA-N 2 3 279.472 2.501 20 0 CFADHP CC1([NH+]2CCCC2)CCC([NH2+][C@@H]2CCC[C@H]2CN)CC1 ZINC000925824381 619145737 /nfs/dbraw/zinc/14/57/37/619145737.db2.gz SHTBPSAPUXQYAG-ORBLRFAASA-N 2 3 279.472 2.501 20 0 CFADHP CC1([NH+]2CCC2)CCC([NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000925861642 619188089 /nfs/dbraw/zinc/18/80/89/619188089.db2.gz RKSGMKKDFHFKKQ-SOEBMCCKSA-N 2 3 279.472 2.501 20 0 CFADHP CN(C)CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)C(C)(C)C ZINC000902327661 621037318 /nfs/dbraw/zinc/03/73/18/621037318.db2.gz FZAZFWDABYMAOM-LSDHHAIUSA-N 2 3 283.504 2.721 20 0 CFADHP [NH3+][C@H](C[C@H]1CCCN(CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422390 626471575 /nfs/dbraw/zinc/47/15/75/626471575.db2.gz QYRNCHYPIUHJDK-CRAIPNDOSA-N 2 3 293.499 2.748 20 0 CFADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000873242174 642092305 /nfs/dbraw/zinc/09/23/05/642092305.db2.gz MNDOIBSRIKMOMD-SJORKVTESA-N 2 3 281.488 2.604 20 0 CFADHP C(CC[NH2+][C@@H]1CCNC12CCC2)CC[NH+]1CCCCC1 ZINC000925488076 648182152 /nfs/dbraw/zinc/18/21/52/648182152.db2.gz PTYJBOXFMISJIZ-MRXNPFEDSA-N 2 3 279.472 2.517 20 0 CFADHP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925552100 648213179 /nfs/dbraw/zinc/21/31/79/648213179.db2.gz GXDVHPNPHUJSOP-HOTGVXAUSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCNC12CCC2 ZINC000925552100 648213184 /nfs/dbraw/zinc/21/31/84/648213184.db2.gz GXDVHPNPHUJSOP-HOTGVXAUSA-N 2 3 279.472 2.515 20 0 CFADHP C[C@@H]([NH3+])[C@@H](NCC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000925662440 648268654 /nfs/dbraw/zinc/26/86/54/648268654.db2.gz ZYGQNJHAHYCCLP-RDTXWAMCSA-N 2 3 287.451 2.539 20 0 CFADHP C[C@H]1C[C@H](C)CN(CCC[NH2+]C2CCC([NH+](C)C)CC2)C1 ZINC001168295257 778412269 /nfs/dbraw/zinc/41/22/69/778412269.db2.gz ZOYCYICZIMELKS-VYMRPNJYSA-N 2 3 295.515 2.817 20 0 CFADHP C[N@@H+]1CCC[C@H](CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369821 778794568 /nfs/dbraw/zinc/79/45/68/778794568.db2.gz DIWYNBHGHZOZCP-IRXDYDNUSA-N 2 3 293.499 2.572 20 0 CFADHP C[N@H+]1CCC[C@H](CN(C[C@H]2CCC[NH2+]C2)C2CCCC2)C1 ZINC001236369821 778794571 /nfs/dbraw/zinc/79/45/71/778794571.db2.gz DIWYNBHGHZOZCP-IRXDYDNUSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@H]1CCCCN1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715257369 779353518 /nfs/dbraw/zinc/35/35/18/779353518.db2.gz SXWVAWDERIFZMP-GTPINHCMSA-N 2 3 281.488 2.713 20 0 CFADHP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000623347999 353620914 /nfs/dbraw/zinc/62/09/14/353620914.db2.gz ODSOSLJWSNEWGW-QGZVFWFLSA-N 2 3 289.467 2.711 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070117 540283963 /nfs/dbraw/zinc/28/39/63/540283963.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCCN[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339070117 540283966 /nfs/dbraw/zinc/28/39/66/540283966.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070117 540283968 /nfs/dbraw/zinc/28/39/68/540283968.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[NH+]1CCCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070117 540283971 /nfs/dbraw/zinc/28/39/71/540283971.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339070117 540283974 /nfs/dbraw/zinc/28/39/74/540283974.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCN2CCC[C@H]2C1 ZINC000339070117 540283976 /nfs/dbraw/zinc/28/39/76/540283976.db2.gz WRRWOMURTXFWPI-KURKYZTESA-N 2 3 293.499 2.857 20 0 CFADHP C[C@H]([NH3+])C[C@H](C)NCc1ccccc1C[NH+]1CCCCC1 ZINC000422781154 237198392 /nfs/dbraw/zinc/19/83/92/237198392.db2.gz DTZWCJYGVATGCC-HOTGVXAUSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422883781 237306563 /nfs/dbraw/zinc/30/65/63/237306563.db2.gz RBQKBFNVFJWQTN-ZACQAIPSSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2CN)C1 ZINC000422883781 237306572 /nfs/dbraw/zinc/30/65/72/237306572.db2.gz RBQKBFNVFJWQTN-ZACQAIPSSA-N 2 3 281.488 2.606 20 0 CFADHP C[C@@H](NCCCCC[NH+]1CCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000422708017 296121551 /nfs/dbraw/zinc/12/15/51/296121551.db2.gz BEEXVSLMJBZZEI-SJORKVTESA-N 2 3 281.488 2.763 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000347565867 381224028 /nfs/dbraw/zinc/22/40/28/381224028.db2.gz LREHKGDFFWCODL-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP C[NH+](C)CCCC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000347565867 381224032 /nfs/dbraw/zinc/22/40/32/381224032.db2.gz LREHKGDFFWCODL-GOSISDBHSA-N 2 3 295.515 2.915 20 0 CFADHP C[C@@H]1CCCC[C@@H]1N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000415033761 296329682 /nfs/dbraw/zinc/32/96/82/296329682.db2.gz JHQDJHNNACWIHR-FZCLSBEQSA-N 2 3 293.499 2.747 20 0 CFADHP C[C@@H]([NH3+])C[C@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782288 532963183 /nfs/dbraw/zinc/96/31/83/532963183.db2.gz GGHYYNQAWXJIEM-CVEARBPZSA-N 2 3 289.467 2.888 20 0 CFADHP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422736809 382975872 /nfs/dbraw/zinc/97/58/72/382975872.db2.gz GVKHAIBWXLWYDF-MSOLQXFVSA-N 2 3 289.467 2.888 20 0 CFADHP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2N)c1 ZINC000422736809 382975877 /nfs/dbraw/zinc/97/58/77/382975877.db2.gz GVKHAIBWXLWYDF-MSOLQXFVSA-N 2 3 289.467 2.888 20 0 CFADHP CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000422841731 382983131 /nfs/dbraw/zinc/98/31/31/382983131.db2.gz WSWUAPFUIFGSRU-RDHHWEPZSA-N 2 3 281.488 2.747 20 0 CFADHP CC(C)[N@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248350 383381855 /nfs/dbraw/zinc/38/18/55/383381855.db2.gz OIKLSCBGLAAJTK-QZTJIDSGSA-N 2 3 289.467 2.886 20 0 CFADHP CC(C)[N@@H+](C)Cc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568248350 383381858 /nfs/dbraw/zinc/38/18/58/383381858.db2.gz OIKLSCBGLAAJTK-QZTJIDSGSA-N 2 3 289.467 2.886 20 0 CFADHP C[C@@H](N)C[C@@H](C)[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422969624 394260344 /nfs/dbraw/zinc/26/03/44/394260344.db2.gz UXTRFVDJEXQVJH-NUWOQIAWSA-N 2 3 281.488 2.745 20 0 CFADHP [NH3+]Cc1ccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000647553338 395392087 /nfs/dbraw/zinc/39/20/87/395392087.db2.gz UJRZSLQLWAMYBZ-RBUKOAKNSA-N 2 3 295.430 2.728 20 0 CFADHP CC[N@H+](CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990403 395474411 /nfs/dbraw/zinc/47/44/11/395474411.db2.gz XUAOLWPSAWLTTI-GOSISDBHSA-N 2 3 295.515 2.676 20 0 CFADHP CC[N@@H+](CCC1CCN(C[C@@H]2CC[NH2+]C2)CC1)CC(C)C ZINC000647990403 395474412 /nfs/dbraw/zinc/47/44/12/395474412.db2.gz XUAOLWPSAWLTTI-GOSISDBHSA-N 2 3 295.515 2.676 20 0 CFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)C1 ZINC000650713612 397865913 /nfs/dbraw/zinc/86/59/13/397865913.db2.gz XPUOUQUAKFXQTO-NVXWUHKLSA-N 2 3 293.499 2.748 20 0 CFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000334698583 287311043 /nfs/dbraw/zinc/31/10/43/287311043.db2.gz KNLZAMMWLCDEKN-YHOLWWCESA-N 2 3 293.499 2.889 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067325 276075949 /nfs/dbraw/zinc/07/59/49/276075949.db2.gz IFODKDOYOIOSDK-CRAIPNDOSA-N 2 3 289.467 2.568 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000361067325 276075950 /nfs/dbraw/zinc/07/59/50/276075950.db2.gz IFODKDOYOIOSDK-CRAIPNDOSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000361067325 276075951 /nfs/dbraw/zinc/07/59/51/276075951.db2.gz IFODKDOYOIOSDK-CRAIPNDOSA-N 2 3 289.467 2.568 20 0 CFADHP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000361067325 276075952 /nfs/dbraw/zinc/07/59/52/276075952.db2.gz IFODKDOYOIOSDK-CRAIPNDOSA-N 2 3 289.467 2.568 20 0 CFADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN(C2CCCCC2)CC1 ZINC000422833085 279254907 /nfs/dbraw/zinc/25/49/07/279254907.db2.gz YFKFBOLHSFUUOD-OAHLLOKOSA-N 2 3 281.488 2.891 20 0 CFADHP [NH3+][C@@H]1CCC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000565226286 290285703 /nfs/dbraw/zinc/28/57/03/290285703.db2.gz LXXWHXXWNOVNAB-QZTJIDSGSA-N 2 3 287.451 2.642 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735151 527849337 /nfs/dbraw/zinc/84/93/37/527849337.db2.gz DKQGFZAEQQIMSQ-QAPCUYQASA-N 2 3 289.467 2.616 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735151 527849342 /nfs/dbraw/zinc/84/93/42/527849342.db2.gz DKQGFZAEQQIMSQ-QAPCUYQASA-N 2 3 289.467 2.616 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@@H](C)C[C@H](C)[NH3+] ZINC000422780372 528199988 /nfs/dbraw/zinc/19/99/88/528199988.db2.gz DBXPUMQFIMEPJY-GJZGRUSLSA-N 2 3 277.456 2.744 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCC[C@@H]3CN)CC2)CC1 ZINC000422966001 528228160 /nfs/dbraw/zinc/22/81/60/528228160.db2.gz MOHUGNDTVFSHBD-AQEOSJORSA-N 2 3 293.499 2.747 20 0 CFADHP CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710936 618964493 /nfs/dbraw/zinc/96/44/93/618964493.db2.gz YGTOYDDDAWNEDW-SJORKVTESA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)(C)[N@H+]1CC[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710936 618964495 /nfs/dbraw/zinc/96/44/95/618964495.db2.gz YGTOYDDDAWNEDW-SJORKVTESA-N 2 3 289.467 2.929 20 0 CFADHP C[C@@H](NCCCCCC1CC[NH2+]CC1)[C@@H]1CCCC[NH2+]1 ZINC000925808027 619127791 /nfs/dbraw/zinc/12/77/91/619127791.db2.gz MITDFFJZVBMJLH-WBVHZDCISA-N 2 3 281.488 2.667 20 0 CFADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442726 621382619 /nfs/dbraw/zinc/38/26/19/621382619.db2.gz ZWLVECOVDKKRMZ-MLHJIOFPSA-N 2 3 293.499 2.700 20 0 CFADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000903442726 621382621 /nfs/dbraw/zinc/38/26/21/621382621.db2.gz ZWLVECOVDKKRMZ-MLHJIOFPSA-N 2 3 293.499 2.700 20 0 CFADHP CC1CC[NH+](C[C@@H]2CCCN(C[C@@H]3CC[C@H]([NH3+])C3)C2)CC1 ZINC000903442012 621382812 /nfs/dbraw/zinc/38/28/12/621382812.db2.gz FPRMPHUMKLNPHS-SQNIBIBYSA-N 2 3 293.499 2.558 20 0 CFADHP [NH3+][C@@H](C[C@H]1CCCN(CCC[NH2+]C2CC2)C1)C1CCCC1 ZINC000923422392 626471514 /nfs/dbraw/zinc/47/15/14/626471514.db2.gz QYRNCHYPIUHJDK-QAPCUYQASA-N 2 3 293.499 2.748 20 0 CFADHP C[C@H](NC1CCC([NH+]2CCCCC2)CC1)[C@H]1CCCC[NH2+]1 ZINC000817900927 632724546 /nfs/dbraw/zinc/72/45/46/632724546.db2.gz RGFAUEVYTVCMNJ-FCCDEINASA-N 2 3 293.499 2.904 20 0 CFADHP CC(C)[NH+]1CCC(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000873242173 642092451 /nfs/dbraw/zinc/09/24/51/642092451.db2.gz MNDOIBSRIKMOMD-IRXDYDNUSA-N 2 3 281.488 2.604 20 0 CFADHP C[NH+](C)C1(C)CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000873248139 642094987 /nfs/dbraw/zinc/09/49/87/642094987.db2.gz AEORLUZEZJTNNS-KJFXSAIASA-N 2 3 287.451 2.984 20 0 CFADHP C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1cccc(C[NH+](C)C)c1 ZINC000926469954 648499768 /nfs/dbraw/zinc/49/97/68/648499768.db2.gz IMQOXQQSJUXKKS-LSDHHAIUSA-N 2 3 277.456 2.597 20 0 CFADHP C[N@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167965301 777403181 /nfs/dbraw/zinc/40/31/81/777403181.db2.gz AAZJYZNEBHGOFD-DDEIOVDASA-N 2 3 291.483 2.594 20 0 CFADHP C[N@@H+](C1CCC([NH3+])CC1)C1C[C@H]2CC[C@@H](C1)N2CC1CC1 ZINC001167965301 777403186 /nfs/dbraw/zinc/40/31/86/777403186.db2.gz AAZJYZNEBHGOFD-DDEIOVDASA-N 2 3 291.483 2.594 20 0 CFADHP CC(C)(C)C[N@H+](Cc1ccc(C[NH3+])cc1)C1CCNCC1 ZINC001236458105 778834463 /nfs/dbraw/zinc/83/44/63/778834463.db2.gz UMGWFPUDRWYOMN-UHFFFAOYSA-N 2 3 289.467 2.745 20 0 CFADHP CC(C)(C)C[N@@H+](Cc1ccc(C[NH3+])cc1)C1CCNCC1 ZINC001236458105 778834477 /nfs/dbraw/zinc/83/44/77/778834477.db2.gz UMGWFPUDRWYOMN-UHFFFAOYSA-N 2 3 289.467 2.745 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)CC2CCC2)CC1 ZINC001236539816 778870430 /nfs/dbraw/zinc/87/04/30/778870430.db2.gz BGWHUTZCJDPFSJ-BZSNNMDCSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)CC2CCC2)CC1 ZINC001236539816 778870435 /nfs/dbraw/zinc/87/04/35/778870435.db2.gz BGWHUTZCJDPFSJ-BZSNNMDCSA-N 2 3 293.499 2.891 20 0 CFADHP C[C@@H]1CCCCN1CCC[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715257370 779353414 /nfs/dbraw/zinc/35/34/14/779353414.db2.gz SXWVAWDERIFZMP-KLAILNCOSA-N 2 3 281.488 2.713 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H]1CCC[C@H](N(C)C)C1 ZINC000715268754 779378002 /nfs/dbraw/zinc/37/80/02/779378002.db2.gz GPWLKGPMXHEKNB-ULQDDVLXSA-N 2 3 283.504 2.959 20 0 CFADHP CC[C@H](NCC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422834969 529593180 /nfs/dbraw/zinc/59/31/80/529593180.db2.gz IAGYIJWSSGVKTO-ROUUACIJSA-N 2 3 295.515 2.865 20 0 CFADHP CC[C@H]([NH2+]CC1CC[NH+](CCC(C)C)CC1)[C@@H]1CCCN1 ZINC000422834969 529593184 /nfs/dbraw/zinc/59/31/84/529593184.db2.gz IAGYIJWSSGVKTO-ROUUACIJSA-N 2 3 295.515 2.865 20 0 CFADHP CC(C)CN1CCC[C@@H](C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000090586537 539591752 /nfs/dbraw/zinc/59/17/52/539591752.db2.gz FMFRGPWCHHVJTL-IRXDYDNUSA-N 2 3 295.515 2.674 20 0 CFADHP C(CCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075636 540283063 /nfs/dbraw/zinc/28/30/63/540283063.db2.gz QZYMDVQSZOWYBA-ROUUACIJSA-N 2 3 293.499 2.859 20 0 CFADHP C(CCN[C@H]1CC[N@H+]2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075636 540283066 /nfs/dbraw/zinc/28/30/66/540283066.db2.gz QZYMDVQSZOWYBA-ROUUACIJSA-N 2 3 293.499 2.859 20 0 CFADHP C(CC[NH2+][C@H]1CCN2CCC[C@H]2C1)CC[NH+]1CCCCC1 ZINC000339075636 540283069 /nfs/dbraw/zinc/28/30/69/540283069.db2.gz QZYMDVQSZOWYBA-ROUUACIJSA-N 2 3 293.499 2.859 20 0 CFADHP C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422782293 237202154 /nfs/dbraw/zinc/20/21/54/237202154.db2.gz GGHYYNQAWXJIEM-HZPDHXFCSA-N 2 3 289.467 2.888 20 0 CFADHP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000422888077 237307992 /nfs/dbraw/zinc/30/79/92/237307992.db2.gz ZZZVCMRHZRACFK-VQVIJEGRSA-N 2 3 293.499 2.617 20 0 CFADHP [NH3+]CCCNCc1ccccc1C[NH+]1CCCCCC1 ZINC000415091780 540834254 /nfs/dbraw/zinc/83/42/54/540834254.db2.gz QWAZXRXAKWJDSZ-UHFFFAOYSA-N 2 3 275.440 2.501 20 0 CFADHP C[C@@H](NCCCCC[NH+]1CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000422708014 296121694 /nfs/dbraw/zinc/12/16/94/296121694.db2.gz BEEXVSLMJBZZEI-IAGOWNOFSA-N 2 3 281.488 2.763 20 0 CFADHP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000420324942 382369429 /nfs/dbraw/zinc/36/94/29/382369429.db2.gz VXEYQGZWEXOJFI-ZWKOTPCHSA-N 2 3 293.499 2.574 20 0 CFADHP CCCN(CCC)CCC[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000163881409 542575502 /nfs/dbraw/zinc/57/55/02/542575502.db2.gz IIXUDVZPHDZOEE-INIZCTEOSA-N 2 3 283.504 2.818 20 0 CFADHP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000459723579 393886122 /nfs/dbraw/zinc/88/61/22/393886122.db2.gz AERAQXHSHVCXRB-HNNXBMFYSA-N 2 3 281.488 2.571 20 0 CFADHP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(C)(C)C)CC2)C1 ZINC000459723579 393886124 /nfs/dbraw/zinc/88/61/24/393886124.db2.gz AERAQXHSHVCXRB-HNNXBMFYSA-N 2 3 281.488 2.571 20 0 CFADHP CCN(CC)CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317258 414504762 /nfs/dbraw/zinc/50/47/62/414504762.db2.gz PKVNWJNLVIGSBR-HZPDHXFCSA-N 2 3 269.477 2.558 20 0 CFADHP CCN(CC)CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317258 414504764 /nfs/dbraw/zinc/50/47/64/414504764.db2.gz PKVNWJNLVIGSBR-HZPDHXFCSA-N 2 3 269.477 2.558 20 0 CFADHP CC[NH+](CC)CCCN1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662317258 414504765 /nfs/dbraw/zinc/50/47/65/414504765.db2.gz PKVNWJNLVIGSBR-HZPDHXFCSA-N 2 3 269.477 2.558 20 0 CFADHP C[C@H](NCCCC[NH+]1CCC(C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422874402 278257490 /nfs/dbraw/zinc/25/74/90/278257490.db2.gz CSUAEKMAQBPHIP-IRXDYDNUSA-N 2 3 281.488 2.619 20 0 CFADHP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735149 527846651 /nfs/dbraw/zinc/84/66/51/527846651.db2.gz DKQGFZAEQQIMSQ-CRAIPNDOSA-N 2 3 289.467 2.616 20 0 CFADHP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422735149 527846652 /nfs/dbraw/zinc/84/66/52/527846652.db2.gz DKQGFZAEQQIMSQ-CRAIPNDOSA-N 2 3 289.467 2.616 20 0 CFADHP CC(C)[N@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910798 528835601 /nfs/dbraw/zinc/83/56/01/528835601.db2.gz JIDGCVYGWNMJTR-QZTJIDSGSA-N 2 3 289.467 2.744 20 0 CFADHP CC(C)[N@@H+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000422910798 528835609 /nfs/dbraw/zinc/83/56/09/528835609.db2.gz JIDGCVYGWNMJTR-QZTJIDSGSA-N 2 3 289.467 2.744 20 0 CFADHP CN(C)CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)C(C)(C)C ZINC000925504963 618833006 /nfs/dbraw/zinc/83/30/06/618833006.db2.gz OUZQWGKSHCBSBZ-ZNMIVQPWSA-N 2 3 283.504 2.848 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CCNC23CCC3)CC1 ZINC000925540981 618898924 /nfs/dbraw/zinc/89/89/24/618898924.db2.gz GLSQEURRLMCOGP-KRWDZBQOSA-N 2 3 293.499 2.619 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CCNC[C@@H]2C2CCCC2)CC1 ZINC000925701321 618954662 /nfs/dbraw/zinc/95/46/62/618954662.db2.gz XQAKXBNTBXDNKW-AHCXZYCDSA-N 2 3 293.499 2.509 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCNC2)CC1 ZINC000904366368 621585843 /nfs/dbraw/zinc/58/58/43/621585843.db2.gz IRVHOOPMNHLVKH-SFHVURJKSA-N 2 3 295.515 2.724 20 0 CFADHP C[C@]1(CN2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000873232689 642086686 /nfs/dbraw/zinc/08/66/86/642086686.db2.gz WRTPCASTVYSOTB-NXHRZFHOSA-N 2 3 293.499 2.606 20 0 CFADHP CC[NH+](CC)Cc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000089147743 650828292 /nfs/dbraw/zinc/82/82/92/650828292.db2.gz PWHBIWNWQVDWOZ-YJBOKZPZSA-N 2 3 289.467 2.745 20 0 CFADHP CN1CCCC[C@@H]1CC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248952 644195154 /nfs/dbraw/zinc/19/51/54/644195154.db2.gz ZYARAASGRULDDO-QGZVFWFLSA-N 2 3 293.499 2.669 20 0 CFADHP C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543141 648209233 /nfs/dbraw/zinc/20/92/33/648209233.db2.gz QYHWZGCOASHMSV-KURKYZTESA-N 2 3 289.467 2.929 20 0 CFADHP CN(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925543141 648209236 /nfs/dbraw/zinc/20/92/36/648209236.db2.gz QYHWZGCOASHMSV-KURKYZTESA-N 2 3 289.467 2.929 20 0 CFADHP C(CCC[NH2+][C@H]1CCNC12CCC2)CCC[NH+]1CCCC1 ZINC000925610292 648239343 /nfs/dbraw/zinc/23/93/43/648239343.db2.gz ZJUZIVJMLZAOEQ-KRWDZBQOSA-N 2 3 293.499 2.907 20 0 CFADHP CC(C)CCN1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000926573498 648539426 /nfs/dbraw/zinc/53/94/26/648539426.db2.gz MIGUXOAPSSFRQD-QGZVFWFLSA-N 2 3 295.515 2.818 20 0 CFADHP CC(C)CCN1CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000926573498 648539428 /nfs/dbraw/zinc/53/94/28/648539428.db2.gz MIGUXOAPSSFRQD-QGZVFWFLSA-N 2 3 295.515 2.818 20 0 CFADHP [NH3+]CCCCN(Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC001236454228 778834378 /nfs/dbraw/zinc/83/43/78/778834378.db2.gz WZECCGHYNLPKJO-UHFFFAOYSA-N 2 3 295.858 2.633 20 0 CFADHP [NH3+]CCCC[N@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454228 778834390 /nfs/dbraw/zinc/83/43/90/778834390.db2.gz WZECCGHYNLPKJO-UHFFFAOYSA-N 2 3 295.858 2.633 20 0 CFADHP [NH3+]CCCC[N@@H+](Cc1ccc(Cl)cc1)C1CCNCC1 ZINC001236454228 778834396 /nfs/dbraw/zinc/83/43/96/778834396.db2.gz WZECCGHYNLPKJO-UHFFFAOYSA-N 2 3 295.858 2.633 20 0 CFADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000422722691 237137828 /nfs/dbraw/zinc/13/78/28/237137828.db2.gz YNMQUWBMKDCOQP-IRXDYDNUSA-N 2 3 281.488 2.750 20 0 CFADHP N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795398 237218750 /nfs/dbraw/zinc/21/87/50/237218750.db2.gz VKPVLSGKHZAKFC-ZWKOTPCHSA-N 2 3 287.451 2.642 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422887771 237308871 /nfs/dbraw/zinc/30/88/71/237308871.db2.gz ZJMNRWWIYALAGD-ZACQAIPSSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC[C@@H]1CN ZINC000422887771 237308876 /nfs/dbraw/zinc/30/88/76/237308876.db2.gz ZJMNRWWIYALAGD-ZACQAIPSSA-N 2 3 281.488 2.748 20 0 CFADHP C[C@H]1CCCC[C@@H]1N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753121 383723141 /nfs/dbraw/zinc/72/31/41/383723141.db2.gz YXSBBXGDGFWCRY-YJBOKZPZSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000178979520 380498731 /nfs/dbraw/zinc/49/87/31/380498731.db2.gz XPZKICVCQYQWBP-FUHWJXTLSA-N 2 3 293.499 2.572 20 0 CFADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2CC[NH2+]CC2)C1 ZINC000178979520 380498737 /nfs/dbraw/zinc/49/87/37/380498737.db2.gz XPZKICVCQYQWBP-FUHWJXTLSA-N 2 3 293.499 2.572 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336823810 380693762 /nfs/dbraw/zinc/69/37/62/380693762.db2.gz RKHFXKXJCYPVMP-QGZVFWFLSA-N 2 3 281.488 2.525 20 0 CFADHP CC[NH+](CC)CC1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336823810 380693770 /nfs/dbraw/zinc/69/37/70/380693770.db2.gz RKHFXKXJCYPVMP-QGZVFWFLSA-N 2 3 281.488 2.525 20 0 CFADHP C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](CCC[NH3+])c1ccccc1 ZINC000415058178 381742686 /nfs/dbraw/zinc/74/26/86/381742686.db2.gz SXOBWMOUMFTDAE-DJIMGWMZSA-N 2 3 275.440 2.587 20 0 CFADHP C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000415058181 381745623 /nfs/dbraw/zinc/74/56/23/381745623.db2.gz SXOBWMOUMFTDAE-PVAVHDDUSA-N 2 3 275.440 2.587 20 0 CFADHP C[C@@H](N)C[C@H](C)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422902021 532963472 /nfs/dbraw/zinc/96/34/72/532963472.db2.gz MHXSKLUGJMWFDD-CVEARBPZSA-N 2 3 289.467 2.614 20 0 CFADHP [NH3+][C@@H]1C[C@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084469 383041004 /nfs/dbraw/zinc/04/10/04/383041004.db2.gz IARBTKCPPLIDEN-MSOLQXFVSA-N 2 3 285.435 2.595 20 0 CFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699384 393616554 /nfs/dbraw/zinc/61/65/54/393616554.db2.gz LMVMEMZTXFUAPN-YHOLWWCESA-N 2 3 293.499 2.889 20 0 CFADHP C[C@@H]([NH3+])c1ccc(CNCc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656786741 413231393 /nfs/dbraw/zinc/23/13/93/413231393.db2.gz PYEGJXMKNZLFPV-CQSZACIVSA-N 2 3 295.430 2.642 20 0 CFADHP N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000422795395 534710915 /nfs/dbraw/zinc/71/09/15/534710915.db2.gz VKPVLSGKHZAKFC-MSOLQXFVSA-N 2 3 287.451 2.642 20 0 CFADHP CC[NH+](CC)Cc1cccc(CN[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422690022 528195658 /nfs/dbraw/zinc/19/56/58/528195658.db2.gz GBPIMDLHSSMTAE-CABCVRRESA-N 2 3 277.456 2.744 20 0 CFADHP CC[NH+]1CCC(N[C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924569409 618615690 /nfs/dbraw/zinc/61/56/90/618615690.db2.gz GZMDDRAKQRNMCB-HNNXBMFYSA-N 2 3 289.467 2.883 20 0 CFADHP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCNC23CCC3)CC1 ZINC000925540982 618899006 /nfs/dbraw/zinc/89/90/06/618899006.db2.gz GLSQEURRLMCOGP-QGZVFWFLSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@H]([NH3+])c1ccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925697324 618950919 /nfs/dbraw/zinc/95/09/19/618950919.db2.gz DMSYQLHSPHNROF-RCBQFDQVSA-N 2 3 275.440 2.702 20 0 CFADHP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CCNC[C@H]2C2CCCC2)CC1 ZINC000925701324 618954469 /nfs/dbraw/zinc/95/44/69/618954469.db2.gz XQAKXBNTBXDNKW-UOVPBQLFSA-N 2 3 293.499 2.509 20 0 CFADHP CCCC[N@H+](C)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734395 621433852 /nfs/dbraw/zinc/43/38/52/621433852.db2.gz YWQDVWXUCAVSDF-GOSISDBHSA-N 2 3 295.515 2.820 20 0 CFADHP CCCC[N@@H+](C)CC1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903734395 621433855 /nfs/dbraw/zinc/43/38/55/621433855.db2.gz YWQDVWXUCAVSDF-GOSISDBHSA-N 2 3 295.515 2.820 20 0 CFADHP CC[NH+](CC)Cc1cc([C@@H](C)NCCC[NH3+])ccc1OC ZINC000817938047 632742777 /nfs/dbraw/zinc/74/27/77/632742777.db2.gz CJZJCIYYGQUHQP-CQSZACIVSA-N 2 3 293.455 2.536 20 0 CFADHP CC(C)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000250491729 650974677 /nfs/dbraw/zinc/97/46/77/650974677.db2.gz HHCHMZFDGVRVFL-RCCFBDPRSA-N 2 3 293.499 2.760 20 0 CFADHP C[NH+](C)Cc1cccc(CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925528224 648201190 /nfs/dbraw/zinc/20/11/90/648201190.db2.gz ZULUIAIIILYEHF-IRXDYDNUSA-N 2 3 289.467 2.744 20 0 CFADHP C(CCC[NH2+][C@@H]1CCNC12CCC2)CCC[NH+]1CCCC1 ZINC000925610293 648238696 /nfs/dbraw/zinc/23/86/96/648238696.db2.gz ZJUZIVJMLZAOEQ-QGZVFWFLSA-N 2 3 293.499 2.907 20 0 CFADHP CCC(N)(CC)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925696636 648284014 /nfs/dbraw/zinc/28/40/14/648284014.db2.gz AAAJACAWQDSHAO-HNNXBMFYSA-N 2 3 263.429 2.574 20 0 CFADHP CC(C)(C)[N@@H+]1CC[C@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710924 648291361 /nfs/dbraw/zinc/29/13/61/648291361.db2.gz YGTOYDDDAWNEDW-DLBZAZTESA-N 2 3 289.467 2.929 20 0 CFADHP CC(C)(C)[N@H+]1CC[C@H](N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925710924 648291365 /nfs/dbraw/zinc/29/13/65/648291365.db2.gz YGTOYDDDAWNEDW-DLBZAZTESA-N 2 3 289.467 2.929 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)CC2CCC2)CC1 ZINC001236539817 778870884 /nfs/dbraw/zinc/87/08/84/778870884.db2.gz BGWHUTZCJDPFSJ-KZNAEPCWSA-N 2 3 293.499 2.891 20 0 CFADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)CC2CCC2)CC1 ZINC001236539817 778870889 /nfs/dbraw/zinc/87/08/89/778870889.db2.gz BGWHUTZCJDPFSJ-KZNAEPCWSA-N 2 3 293.499 2.891 20 0 CFADHP CC(C)(C)C[N@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769645 778930043 /nfs/dbraw/zinc/93/00/43/778930043.db2.gz YIYROTDKQYSYEA-BZUAXINKSA-N 2 3 281.488 2.604 20 0 CFADHP CC(C)(C)C[N@@H+](C[C@@H]1CCCNC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236769645 778930046 /nfs/dbraw/zinc/93/00/46/778930046.db2.gz YIYROTDKQYSYEA-BZUAXINKSA-N 2 3 281.488 2.604 20 0 CFADHP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](N(C)C)C1 ZINC000715268752 779378032 /nfs/dbraw/zinc/37/80/32/779378032.db2.gz GPWLKGPMXHEKNB-BBWFWOEESA-N 2 3 283.504 2.959 20 0 CFADHP CN1CC=C(c2ccccc2C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC001241329878 780784665 /nfs/dbraw/zinc/78/46/65/780784665.db2.gz COWKGOGVGAJDIY-UHFFFAOYSA-N 2 3 299.462 2.576 20 0 CFADHP C[N@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1CC1 ZINC000423161596 529883874 /nfs/dbraw/zinc/88/38/74/529883874.db2.gz JGCLWGJGXWEHKK-FGTMMUONSA-N 2 3 293.499 2.761 20 0 CFADHP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCCN1)C1CC1 ZINC000423161596 529883876 /nfs/dbraw/zinc/88/38/76/529883876.db2.gz JGCLWGJGXWEHKK-FGTMMUONSA-N 2 3 293.499 2.761 20 0 CFADHP C[C@@H]([NH2+]Cc1cccc(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000123726141 539505170 /nfs/dbraw/zinc/50/51/70/539505170.db2.gz SHYUAAQDXXVGRV-OAHLLOKOSA-N 2 3 289.467 2.568 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879788 299289340 /nfs/dbraw/zinc/28/93/40/299289340.db2.gz LESDPNCVAWXFSZ-ULQDDVLXSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879788 299289342 /nfs/dbraw/zinc/28/93/42/299289342.db2.gz LESDPNCVAWXFSZ-ULQDDVLXSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879786 299289190 /nfs/dbraw/zinc/28/91/90/299289190.db2.gz LESDPNCVAWXFSZ-IKGGRYGDSA-N 2 3 281.488 2.761 20 0 CFADHP C[C@H](NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422879786 299289193 /nfs/dbraw/zinc/28/91/93/299289193.db2.gz LESDPNCVAWXFSZ-IKGGRYGDSA-N 2 3 281.488 2.761 20 0 CFADHP [NH3+][C@H]1C[C@H](NCCCCC[NH+]2CCCC2)c2ccccc21 ZINC000423134564 238223863 /nfs/dbraw/zinc/22/38/63/238223863.db2.gz MPZLVKXMGBSPTD-ROUUACIJSA-N 2 3 287.451 2.987 20 0 CFADHP C[NH+]1CCC(C)(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCCN2)CC1 ZINC000226344296 189772875 /nfs/dbraw/zinc/77/28/75/189772875.db2.gz KJJVLDBTEHOWGA-YESZJQIVSA-N 2 3 293.499 2.619 20 0 CFADHP CC(C)CN1CCC[C@H](C[NH2+][C@H](C)C2CC[NH+](C)CC2)C1 ZINC000678602719 542050960 /nfs/dbraw/zinc/05/09/60/542050960.db2.gz FMFRGPWCHHVJTL-IAGOWNOFSA-N 2 3 295.515 2.674 20 0 CFADHP C[C@@H]1CCCC[C@H]1N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000571753118 383723068 /nfs/dbraw/zinc/72/30/68/383723068.db2.gz YXSBBXGDGFWCRY-CRAIPNDOSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)C1 ZINC000334699381 379787955 /nfs/dbraw/zinc/78/79/55/379787955.db2.gz LMVMEMZTXFUAPN-IDMDMSBLSA-N 2 3 293.499 2.889 20 0 CFADHP [NH3+][C@H]1CCC[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000577626733 382865312 /nfs/dbraw/zinc/86/53/12/382865312.db2.gz QIXTZRCRGBAQSL-ZWKOTPCHSA-N 2 3 287.451 2.642 20 0 CFADHP CC(C)[N@H+](C)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000535052879 382947241 /nfs/dbraw/zinc/94/72/41/382947241.db2.gz PTPNRHMOAOXTMI-KRWDZBQOSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[N@@H+](C)CC1CCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000535052879 382947243 /nfs/dbraw/zinc/94/72/43/382947243.db2.gz PTPNRHMOAOXTMI-KRWDZBQOSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000535052879 382947245 /nfs/dbraw/zinc/94/72/45/382947245.db2.gz PTPNRHMOAOXTMI-KRWDZBQOSA-N 2 3 281.488 2.523 20 0 CFADHP CC(C)[NH+](C)CC1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000535052879 382947247 /nfs/dbraw/zinc/94/72/47/382947247.db2.gz PTPNRHMOAOXTMI-KRWDZBQOSA-N 2 3 281.488 2.523 20 0 CFADHP CCN(CC)C[C@H]1CCCC[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422841486 382983500 /nfs/dbraw/zinc/98/35/00/382983500.db2.gz VZYRRGXVYQOBPO-GPQLOAJWSA-N 2 3 295.515 2.994 20 0 CFADHP [NH3+][C@H]1C[C@H](NCC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000423084471 383041315 /nfs/dbraw/zinc/04/13/15/383041315.db2.gz IARBTKCPPLIDEN-ROUUACIJSA-N 2 3 285.435 2.595 20 0 CFADHP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566926525 383226910 /nfs/dbraw/zinc/22/69/10/383226910.db2.gz MZGGYFQLPFOUMG-BZUAXINKSA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](N)C1 ZINC000566926525 383226911 /nfs/dbraw/zinc/22/69/11/383226911.db2.gz MZGGYFQLPFOUMG-BZUAXINKSA-N 2 3 267.461 2.501 20 0 CFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)C1 ZINC000643497623 384663915 /nfs/dbraw/zinc/66/39/15/384663915.db2.gz JGIDXXXHPGNMIP-CRAIPNDOSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H]1CCC[C@@H](N2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000414826693 393805634 /nfs/dbraw/zinc/80/56/34/393805634.db2.gz GAVRLADYKJXTGG-JFIYKMOQSA-N 2 3 293.499 2.619 20 0 CFADHP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(C2CCCC2)CC1 ZINC000422838665 286803658 /nfs/dbraw/zinc/80/36/58/286803658.db2.gz OUXILQPMHPJZSL-AWEZNQCLSA-N 2 3 267.461 2.501 20 0 CFADHP CC1CC[NH+](C2CCC([NH2+][C@H]3CCCNCC3)CC2)CC1 ZINC000334865368 276194837 /nfs/dbraw/zinc/19/48/37/276194837.db2.gz TXRANHSIEKGOBJ-AOCRQIFASA-N 2 3 293.499 2.761 20 0 CFADHP C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CC[C@@H](C[NH3+])C3)CC2)C1 ZINC000415039357 278515248 /nfs/dbraw/zinc/51/52/48/278515248.db2.gz NXZVBMWBBYQTTE-LMSBXDPUSA-N 2 3 293.499 2.747 20 0 CFADHP