smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080795 804117137 /nfs/dbraw/zinc/11/71/37/804117137.db2.gz OOFBNAPPUJRVBB-JKSUJKDBSA-N 2 3 283.504 3.042 20 0 CGADHP CCC(CC)N1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC001168304738 807376978 /nfs/dbraw/zinc/37/69/78/807376978.db2.gz CAHUHCYKDZAZCI-UHFFFAOYSA-N 2 3 295.515 3.102 20 0 CGADHP CC(C)(C)N1CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000340472444 278341009 /nfs/dbraw/zinc/34/10/09/278341009.db2.gz AZYYKBCABLCZIS-UHFFFAOYSA-N 2 3 295.515 3.105 20 0 CGADHP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222235 636163069 /nfs/dbraw/zinc/16/30/69/636163069.db2.gz VECICKLQFYVCPN-QZTJIDSGSA-N 2 3 295.515 3.092 20 0 CGADHP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222235 636163071 /nfs/dbraw/zinc/16/30/71/636163071.db2.gz VECICKLQFYVCPN-QZTJIDSGSA-N 2 3 295.515 3.092 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246247390 804236403 /nfs/dbraw/zinc/23/64/03/804236403.db2.gz GLYMXQKPXKTVLU-INIZCTEOSA-N 2 3 295.515 3.009 20 0 CGADHP CC(C)(C)CC[C@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000904358320 621912769 /nfs/dbraw/zinc/91/27/69/621912769.db2.gz LBTVNPVZSJDSQY-IRXDYDNUSA-N 2 3 291.483 3.210 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001255953822 806796320 /nfs/dbraw/zinc/79/63/20/806796320.db2.gz PIUKRKKAQNGWQQ-KRWDZBQOSA-N 2 3 297.531 3.064 20 0 CGADHP CN1C(C)(C)CC([NH2+]CCCC[NH+]2CCCC2)CC1(C)C ZINC001171619526 808106925 /nfs/dbraw/zinc/10/69/25/808106925.db2.gz NSLHTCUWRZLQTE-UHFFFAOYSA-N 2 3 295.515 3.103 20 0 CGADHP CCN(CC)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886487536 637537660 /nfs/dbraw/zinc/53/76/60/637537660.db2.gz IJIJXMMFFQGQRG-UHFFFAOYSA-N 2 3 295.515 3.105 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001255952246 806795813 /nfs/dbraw/zinc/79/58/13/806795813.db2.gz UAXUUSLONLBPIY-WWDZGPRUSA-N 2 3 297.531 3.349 20 0 CGADHP CC(C)(C)C[N@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766640 819591425 /nfs/dbraw/zinc/59/14/25/819591425.db2.gz BCIUTIGUAYSHBJ-ULQDDVLXSA-N 2 3 295.515 3.137 20 0 CGADHP CC(C)(C)C[N@@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766640 819591427 /nfs/dbraw/zinc/59/14/27/819591427.db2.gz BCIUTIGUAYSHBJ-ULQDDVLXSA-N 2 3 295.515 3.137 20 0 CGADHP CC[NH+](CC)CCCC1CC[NH+](C[C@H](N)CC(C)C)CC1 ZINC000414707356 380382159 /nfs/dbraw/zinc/38/21/59/380382159.db2.gz HSBAUFWLZCTSGF-GOSISDBHSA-N 2 3 297.531 3.194 20 0 CGADHP CCCC[C@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246081034 804117749 /nfs/dbraw/zinc/11/77/49/804117749.db2.gz QLICAZRZPZVOIY-IRXDYDNUSA-N 2 3 283.504 3.186 20 0 CGADHP C[C@@H]1CC[C@H](NCCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332044 804288031 /nfs/dbraw/zinc/28/80/31/804288031.db2.gz DAFURAKSTQKIHC-SJORKVTESA-N 2 3 283.504 3.186 20 0 CGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573054 804420234 /nfs/dbraw/zinc/42/02/34/804420234.db2.gz FCQHARTVIOEUGD-GOSISDBHSA-N 2 3 295.515 3.089 20 0 CGADHP CN1C(C)(C)CC([N@H+]2CCC[C@@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573054 804420238 /nfs/dbraw/zinc/42/02/38/804420238.db2.gz FCQHARTVIOEUGD-GOSISDBHSA-N 2 3 295.515 3.089 20 0 CGADHP CCN(CC)CC[C@H](C)[N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952249 806795741 /nfs/dbraw/zinc/79/57/41/806795741.db2.gz DPMGCWRMZNFZJY-ULQDDVLXSA-N 2 3 283.504 3.087 20 0 CGADHP CCN(CC)CC[C@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952249 806795744 /nfs/dbraw/zinc/79/57/44/806795744.db2.gz DPMGCWRMZNFZJY-ULQDDVLXSA-N 2 3 283.504 3.087 20 0 CGADHP C[C@@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(C)(C)CC[NH3+] ZINC001256564189 806915920 /nfs/dbraw/zinc/91/59/20/806915920.db2.gz VALUKTMIMLTXSU-OAHLLOKOSA-N 2 3 297.531 3.240 20 0 CGADHP C[C@H]1C[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408892 804322891 /nfs/dbraw/zinc/32/28/91/804322891.db2.gz XRKUCAIIGRWCDE-UOVPBQLFSA-N 2 3 293.499 3.032 20 0 CGADHP C[C@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408892 804322901 /nfs/dbraw/zinc/32/29/01/804322901.db2.gz XRKUCAIIGRWCDE-UOVPBQLFSA-N 2 3 293.499 3.032 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001246650499 804479150 /nfs/dbraw/zinc/47/91/50/804479150.db2.gz IWDKOTHSKORVBE-ZWKOTPCHSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@]12CCCNC2 ZINC001246650499 804479152 /nfs/dbraw/zinc/47/91/52/804479152.db2.gz IWDKOTHSKORVBE-ZWKOTPCHSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001167839947 807260345 /nfs/dbraw/zinc/26/03/45/807260345.db2.gz CVFACSIBSSHJMG-INIZCTEOSA-N 2 3 295.515 3.056 20 0 CGADHP CCC(CC)(CN)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC001577052149 962509220 /nfs/dbraw/zinc/50/92/20/962509220.db2.gz JWYPYLWCUWMCIJ-UHFFFAOYSA-N 2 3 295.515 3.138 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157253099 279101895 /nfs/dbraw/zinc/10/18/95/279101895.db2.gz WDZHDMXBFLZQAO-WBAXXEDZSA-N 2 3 289.467 3.231 20 0 CGADHP C[C@H](C[NH2+]C1CCN(C(C)(C)C)CC1)CC(C)(C)CC[NH3+] ZINC001256564187 806915996 /nfs/dbraw/zinc/91/59/96/806915996.db2.gz VALUKTMIMLTXSU-HNNXBMFYSA-N 2 3 297.531 3.240 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@]12CCCNC2 ZINC001246650497 804478677 /nfs/dbraw/zinc/47/86/77/804478677.db2.gz IWDKOTHSKORVBE-QZTJIDSGSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@]12CCCNC2 ZINC001246650497 804478681 /nfs/dbraw/zinc/47/86/81/804478681.db2.gz IWDKOTHSKORVBE-QZTJIDSGSA-N 2 3 295.515 3.105 20 0 CGADHP CNCC[C@@H](C)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402220 804321933 /nfs/dbraw/zinc/32/19/33/804321933.db2.gz KTLQGOSBCUOOEL-KBAYOESNSA-N 2 3 295.515 3.137 20 0 CGADHP CNCC[C@@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402220 804321942 /nfs/dbraw/zinc/32/19/42/804321942.db2.gz KTLQGOSBCUOOEL-KBAYOESNSA-N 2 3 295.515 3.137 20 0 CGADHP CN1C(C)(C)CC([NH2+]C2CCC(CC[NH3+])CC2)CC1(C)C ZINC001171625173 808106515 /nfs/dbraw/zinc/10/65/15/808106515.db2.gz DNYAHBJOGCNMCI-UHFFFAOYSA-N 2 3 295.515 3.135 20 0 CGADHP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222233 636163580 /nfs/dbraw/zinc/16/35/80/636163580.db2.gz VECICKLQFYVCPN-MSOLQXFVSA-N 2 3 295.515 3.092 20 0 CGADHP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222233 636163581 /nfs/dbraw/zinc/16/35/81/636163581.db2.gz VECICKLQFYVCPN-MSOLQXFVSA-N 2 3 295.515 3.092 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001255953158 806796600 /nfs/dbraw/zinc/79/66/00/806796600.db2.gz XQJWSBHLXWZCCP-JKSUJKDBSA-N 2 3 285.520 3.098 20 0 CGADHP CCN(CC)CC[C@H](C)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953862 806797113 /nfs/dbraw/zinc/79/71/13/806797113.db2.gz PZXRWXCMASXCTO-BQFCYCMXSA-N 2 3 295.515 3.231 20 0 CGADHP CCN(CC)CC[C@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953862 806797118 /nfs/dbraw/zinc/79/71/18/806797118.db2.gz PZXRWXCMASXCTO-BQFCYCMXSA-N 2 3 295.515 3.231 20 0 CGADHP CCCCN(C)CCC[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246185940 804197087 /nfs/dbraw/zinc/19/70/87/804197087.db2.gz XFKVOFCNYJQGRP-UHFFFAOYSA-N 2 3 295.515 3.010 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962546 806799568 /nfs/dbraw/zinc/79/95/68/806799568.db2.gz WSFPSKYXYGWFJY-QGZVFWFLSA-N 2 3 297.531 3.159 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962546 806799572 /nfs/dbraw/zinc/79/95/72/806799572.db2.gz WSFPSKYXYGWFJY-QGZVFWFLSA-N 2 3 297.531 3.159 20 0 CGADHP CN1C(C)(C)CC([NH2+][C@H]2CC[C@@H]([NH+](C)C)CC2)CC1(C)C ZINC001171630107 808107618 /nfs/dbraw/zinc/10/76/18/808107618.db2.gz JFLCGBYWGAFKMO-FZNQNYSPSA-N 2 3 295.515 3.100 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@H]2CCCC[C@@H]2C)CC1 ZINC000415019422 289459654 /nfs/dbraw/zinc/45/96/54/289459654.db2.gz VVQZOXVCTAAGCL-JZXOWHBKSA-N 2 3 295.515 3.137 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+] ZINC001255953157 806796788 /nfs/dbraw/zinc/79/67/88/806796788.db2.gz XQJWSBHLXWZCCP-HZPDHXFCSA-N 2 3 285.520 3.098 20 0 CGADHP C[C@@H]1C[C@H]([NH2+]CCCCCCCCCCC[NH3+])CCN1 ZINC001246335744 804291660 /nfs/dbraw/zinc/29/16/60/804291660.db2.gz LVBPFZLKLCASAG-IAGOWNOFSA-N 2 3 283.504 3.186 20 0 CGADHP CN1C(C)(C)CC([NH2+]CCCCCCC[NH3+])CC1(C)C ZINC001171624014 808106870 /nfs/dbraw/zinc/10/68/70/808106870.db2.gz LDAPFMAZMSMCJW-UHFFFAOYSA-N 2 3 283.504 3.137 20 0 CGADHP C[C@@H](NCCCCCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000817914122 632234803 /nfs/dbraw/zinc/23/48/03/632234803.db2.gz QYNJCMFNWIEVIZ-QZTJIDSGSA-N 2 3 295.515 3.153 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001255942691 806791038 /nfs/dbraw/zinc/79/10/38/806791038.db2.gz AJOXIWWDGYSEJV-JZXOWHBKSA-N 2 3 297.531 3.240 20 0 CGADHP CC(C)(C)CC[C@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000904358318 621912744 /nfs/dbraw/zinc/91/27/44/621912744.db2.gz LBTVNPVZSJDSQY-DLBZAZTESA-N 2 3 291.483 3.210 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001258899759 807668856 /nfs/dbraw/zinc/66/88/56/807668856.db2.gz QIDPYKYWFZTABG-ZWKOTPCHSA-N 2 3 297.531 3.351 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001255955445 806797930 /nfs/dbraw/zinc/79/79/30/806797930.db2.gz UAXUUSLONLBPIY-KURKYZTESA-N 2 3 297.531 3.349 20 0 CGADHP CC(C)(C)[C@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080794 804117356 /nfs/dbraw/zinc/11/73/56/804117356.db2.gz OOFBNAPPUJRVBB-HZPDHXFCSA-N 2 3 283.504 3.042 20 0 CGADHP CC[NH+](CC)C1CCC([NH2+][C@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001173107456 808512489 /nfs/dbraw/zinc/51/24/89/808512489.db2.gz SBWOGMZXINYLSU-IKJBURDNSA-N 2 3 295.515 3.102 20 0 CGADHP CCCC[C@@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080943 804117780 /nfs/dbraw/zinc/11/77/80/804117780.db2.gz QLICAZRZPZVOIY-IAGOWNOFSA-N 2 3 283.504 3.186 20 0 CGADHP CCCC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CCN1 ZINC001246340377 804293225 /nfs/dbraw/zinc/29/32/25/804293225.db2.gz UKQABOOJVOQSGZ-BBWFWOEESA-N 2 3 297.531 3.288 20 0 CGADHP CN1C(C)(C)CC([N@@H+]2CCC[C@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573055 804420961 /nfs/dbraw/zinc/42/09/61/804420961.db2.gz FCQHARTVIOEUGD-SFHVURJKSA-N 2 3 295.515 3.089 20 0 CGADHP CN1C(C)(C)CC([N@H+]2CCC[C@](C)(C[NH3+])CC2)CC1(C)C ZINC001246573055 804420964 /nfs/dbraw/zinc/42/09/64/804420964.db2.gz FCQHARTVIOEUGD-SFHVURJKSA-N 2 3 295.515 3.089 20 0 CGADHP [NH3+]CCCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000846221766 636163197 /nfs/dbraw/zinc/16/31/97/636163197.db2.gz NSROOWOKPBYBEI-GOSISDBHSA-N 2 3 295.515 3.094 20 0 CGADHP C[C@@H]1C[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CCN1 ZINC001246335747 804290719 /nfs/dbraw/zinc/29/07/19/804290719.db2.gz LVBPFZLKLCASAG-SJORKVTESA-N 2 3 283.504 3.186 20 0 CGADHP CCC(CC)[N@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781951 819593091 /nfs/dbraw/zinc/59/30/91/819593091.db2.gz CIFGLPRKQRYWCI-JFIYKMOQSA-N 2 3 295.515 3.279 20 0 CGADHP CCC(CC)[N@@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781951 819593096 /nfs/dbraw/zinc/59/30/96/819593096.db2.gz CIFGLPRKQRYWCI-JFIYKMOQSA-N 2 3 295.515 3.279 20 0 CGADHP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](N)CC(C)C)CC1 ZINC000414707366 380381785 /nfs/dbraw/zinc/38/17/85/380381785.db2.gz HSBAUFWLZCTSGF-SFHVURJKSA-N 2 3 297.531 3.194 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@@H]2CCCC[C@H]2C)CC1 ZINC000415019421 380505787 /nfs/dbraw/zinc/50/57/87/380505787.db2.gz VVQZOXVCTAAGCL-JFIYKMOQSA-N 2 3 295.515 3.137 20 0 CGADHP CC[N@H+](CCCNC[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710114 397898189 /nfs/dbraw/zinc/89/81/89/397898189.db2.gz FAIWDABDNYYBCY-DLBZAZTESA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@@H+](CCCNC[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710114 397898190 /nfs/dbraw/zinc/89/81/90/397898190.db2.gz FAIWDABDNYYBCY-DLBZAZTESA-N 2 3 295.515 3.009 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534786 279101678 /nfs/dbraw/zinc/10/16/78/279101678.db2.gz WDZHDMXBFLZQAO-BMGDILEWSA-N 2 3 289.467 3.231 20 0 CGADHP CCCC[C@@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246081035 804117268 /nfs/dbraw/zinc/11/72/68/804117268.db2.gz QLICAZRZPZVOIY-SJORKVTESA-N 2 3 283.504 3.186 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@H]2CCCC[C@H]2C)CC1 ZINC000415019424 298390458 /nfs/dbraw/zinc/39/04/58/298390458.db2.gz VVQZOXVCTAAGCL-NUJGCVRESA-N 2 3 295.515 3.137 20 0 CGADHP CCCC[NH+]1CCC(C[NH2+][C@@H](C)CCN(CC)CC)CC1 ZINC001255950518 806795572 /nfs/dbraw/zinc/79/55/72/806795572.db2.gz ITRXKDQJJMFEGP-KRWDZBQOSA-N 2 3 297.531 3.209 20 0 CGADHP CCCC[C@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080942 804117155 /nfs/dbraw/zinc/11/71/55/804117155.db2.gz QLICAZRZPZVOIY-DLBZAZTESA-N 2 3 283.504 3.186 20 0 CGADHP CCCC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CCN1 ZINC001246340386 804293104 /nfs/dbraw/zinc/29/31/04/804293104.db2.gz UKQABOOJVOQSGZ-ZACQAIPSSA-N 2 3 297.531 3.288 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258897777 807667775 /nfs/dbraw/zinc/66/77/75/807667775.db2.gz CFNAEBBBFQARBC-KRWDZBQOSA-N 2 3 297.531 3.480 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258897777 807667778 /nfs/dbraw/zinc/66/77/78/807667778.db2.gz CFNAEBBBFQARBC-KRWDZBQOSA-N 2 3 297.531 3.480 20 0 CGADHP CC[NH+](CC)C1CCC([NH2+][C@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001173107457 808512555 /nfs/dbraw/zinc/51/25/55/808512555.db2.gz SBWOGMZXINYLSU-JYSRZZCRSA-N 2 3 295.515 3.102 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415016929 380505130 /nfs/dbraw/zinc/50/51/30/380505130.db2.gz QTNLFGQYIQXUSC-JFIYKMOQSA-N 2 3 295.515 3.137 20 0 CGADHP NC[C@H]1CCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914126 632234950 /nfs/dbraw/zinc/23/49/50/632234950.db2.gz RAIMTKQXXXUXJY-MSOLQXFVSA-N 2 3 295.515 3.140 20 0 CGADHP C[C@H]1CC[C@@H](NCCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332034 804288144 /nfs/dbraw/zinc/28/81/44/804288144.db2.gz DAFURAKSTQKIHC-DLBZAZTESA-N 2 3 283.504 3.186 20 0 CGADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246493863 804359005 /nfs/dbraw/zinc/35/90/05/804359005.db2.gz AYWJLHHBAIUYHS-KSZLIROESA-N 2 3 295.515 3.138 20 0 CGADHP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246493863 804359012 /nfs/dbraw/zinc/35/90/12/804359012.db2.gz AYWJLHHBAIUYHS-KSZLIROESA-N 2 3 295.515 3.138 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(N(C)C2CC2)CC1 ZINC001167839950 807259942 /nfs/dbraw/zinc/25/99/42/807259942.db2.gz CVFACSIBSSHJMG-MRXNPFEDSA-N 2 3 295.515 3.056 20 0 CGADHP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCC[C@H](N(C)C)C2)CC1 ZINC001173107454 808511928 /nfs/dbraw/zinc/51/19/28/808511928.db2.gz SBWOGMZXINYLSU-FPQWYMTMSA-N 2 3 295.515 3.102 20 0 CGADHP [NH3+]CCCCCCCCCCCN[C@H]1CCCC[NH2+]C1 ZINC001246337985 804293123 /nfs/dbraw/zinc/29/31/23/804293123.db2.gz ZAIUQDSVVZLLJT-KRWDZBQOSA-N 2 3 283.504 3.188 20 0 CGADHP CC[N@H+](CCCNC1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000650710231 397898126 /nfs/dbraw/zinc/89/81/26/397898126.db2.gz IJMGFTKQKYMNLZ-UHFFFAOYSA-N 2 3 295.515 3.138 20 0 CGADHP CC[N@@H+](CCCNC1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000650710231 397898128 /nfs/dbraw/zinc/89/81/28/397898128.db2.gz IJMGFTKQKYMNLZ-UHFFFAOYSA-N 2 3 295.515 3.138 20 0 CGADHP CCN(CCC[NH2+]C1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000650710231 397898129 /nfs/dbraw/zinc/89/81/29/397898129.db2.gz IJMGFTKQKYMNLZ-UHFFFAOYSA-N 2 3 295.515 3.138 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258899974 807669043 /nfs/dbraw/zinc/66/90/43/807669043.db2.gz XGHLZRPLFIGYKE-OAHLLOKOSA-N 2 3 297.531 3.477 20 0 CGADHP CCCCN(C)CCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101556 808509763 /nfs/dbraw/zinc/50/97/63/808509763.db2.gz KFPVTRJFMQNZSI-UHFFFAOYSA-N 2 3 297.531 3.351 20 0 CGADHP CC(C)(C)CC[C@@H](N)C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000904358319 621913133 /nfs/dbraw/zinc/91/31/33/621913133.db2.gz LBTVNPVZSJDSQY-IAGOWNOFSA-N 2 3 291.483 3.210 20 0 CGADHP CC1([NH+]2CCC2)CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925862046 638633682 /nfs/dbraw/zinc/63/36/82/638633682.db2.gz WPXKYUNYOJLJAQ-MMZJAPOHSA-N 2 3 299.462 3.128 20 0 CGADHP C[C@@H]1C[C@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408889 804324276 /nfs/dbraw/zinc/32/42/76/804324276.db2.gz XRKUCAIIGRWCDE-JOCBIADPSA-N 2 3 293.499 3.032 20 0 CGADHP C[C@@H]1C[C@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408889 804324284 /nfs/dbraw/zinc/32/42/84/804324284.db2.gz XRKUCAIIGRWCDE-JOCBIADPSA-N 2 3 293.499 3.032 20 0 CGADHP CC[NH+](CC)CCCC[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171619500 808106828 /nfs/dbraw/zinc/10/68/28/808106828.db2.gz MXZOMEAMXTYQPS-UHFFFAOYSA-N 2 3 297.531 3.349 20 0 CGADHP CCN(CC)CC[C@H](C)[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952353 806794966 /nfs/dbraw/zinc/79/49/66/806794966.db2.gz MGWCMOVVMHCUNQ-BZSNNMDCSA-N 2 3 297.531 3.335 20 0 CGADHP CCN(CC)CC[C@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952353 806794969 /nfs/dbraw/zinc/79/49/69/806794969.db2.gz MGWCMOVVMHCUNQ-BZSNNMDCSA-N 2 3 297.531 3.335 20 0 CGADHP C[C@H]1C[C@H]([NH2+]CCCCCCCCCCC[NH3+])CCN1 ZINC001246335743 804290919 /nfs/dbraw/zinc/29/09/19/804290919.db2.gz LVBPFZLKLCASAG-DLBZAZTESA-N 2 3 283.504 3.186 20 0 CGADHP CCCCN(C)CCC[NH2+][C@@H](C)CCC[NH+](CC)CC ZINC001258898732 807668781 /nfs/dbraw/zinc/66/87/81/807668781.db2.gz QTMCTQJRFFENIU-KRWDZBQOSA-N 2 3 285.520 3.209 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1CCCC[C@H]1C ZINC001258899757 807669004 /nfs/dbraw/zinc/66/90/04/807669004.db2.gz QIDPYKYWFZTABG-QZTJIDSGSA-N 2 3 297.531 3.351 20 0 CGADHP CC[N@H+](CCCNC[C@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710117 397898034 /nfs/dbraw/zinc/89/80/34/397898034.db2.gz FAIWDABDNYYBCY-SJORKVTESA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@@H+](CCCNC[C@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710117 397898035 /nfs/dbraw/zinc/89/80/35/397898035.db2.gz FAIWDABDNYYBCY-SJORKVTESA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@H+](CCCNC[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710115 397898414 /nfs/dbraw/zinc/89/84/14/397898414.db2.gz FAIWDABDNYYBCY-IAGOWNOFSA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@@H+](CCCNC[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCC1 ZINC000650710115 397898417 /nfs/dbraw/zinc/89/84/17/397898417.db2.gz FAIWDABDNYYBCY-IAGOWNOFSA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@H+](CCCNC[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710116 397898022 /nfs/dbraw/zinc/89/80/22/397898022.db2.gz FAIWDABDNYYBCY-IRXDYDNUSA-N 2 3 295.515 3.009 20 0 CGADHP CC[N@@H+](CCCNC[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000650710116 397898023 /nfs/dbraw/zinc/89/80/23/397898023.db2.gz FAIWDABDNYYBCY-IRXDYDNUSA-N 2 3 295.515 3.009 20 0 CGADHP NC[C@@H]1CCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914129 632235051 /nfs/dbraw/zinc/23/50/51/632235051.db2.gz RAIMTKQXXXUXJY-ZWKOTPCHSA-N 2 3 295.515 3.140 20 0 CGADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CCN1 ZINC001246340384 804293354 /nfs/dbraw/zinc/29/33/54/804293354.db2.gz UKQABOOJVOQSGZ-GVDBMIGSSA-N 2 3 297.531 3.288 20 0 CGADHP CCCCN(C)CCC[NH2+][C@H](C)CCC[NH+](CC)CC ZINC001258898733 807669276 /nfs/dbraw/zinc/66/92/76/807669276.db2.gz QTMCTQJRFFENIU-QGZVFWFLSA-N 2 3 285.520 3.209 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000227534798 279101510 /nfs/dbraw/zinc/10/15/10/279101510.db2.gz WDZHDMXBFLZQAO-QGTPRVQTSA-N 2 3 289.467 3.231 20 0 CGADHP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222238 636163228 /nfs/dbraw/zinc/16/32/28/636163228.db2.gz VECICKLQFYVCPN-ZWKOTPCHSA-N 2 3 295.515 3.092 20 0 CGADHP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222238 636163232 /nfs/dbraw/zinc/16/32/32/636163232.db2.gz VECICKLQFYVCPN-ZWKOTPCHSA-N 2 3 295.515 3.092 20 0 CGADHP NC[C@@H]1CCCC[C@@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914128 632234832 /nfs/dbraw/zinc/23/48/32/632234832.db2.gz RAIMTKQXXXUXJY-ROUUACIJSA-N 2 3 295.515 3.140 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951803 806795492 /nfs/dbraw/zinc/79/54/92/806795492.db2.gz BBBMJSYNHNUAMI-KBAYOESNSA-N 2 3 295.515 3.089 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951803 806795496 /nfs/dbraw/zinc/79/54/96/806795496.db2.gz BBBMJSYNHNUAMI-KBAYOESNSA-N 2 3 295.515 3.089 20 0 CGADHP C[C@H]1C[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408891 804323147 /nfs/dbraw/zinc/32/31/47/804323147.db2.gz XRKUCAIIGRWCDE-LAQRGFTBSA-N 2 3 293.499 3.032 20 0 CGADHP C[C@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408891 804323155 /nfs/dbraw/zinc/32/31/55/804323155.db2.gz XRKUCAIIGRWCDE-LAQRGFTBSA-N 2 3 293.499 3.032 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246650498 804479030 /nfs/dbraw/zinc/47/90/30/804479030.db2.gz IWDKOTHSKORVBE-ROUUACIJSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246650498 804479032 /nfs/dbraw/zinc/47/90/32/804479032.db2.gz IWDKOTHSKORVBE-ROUUACIJSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001258903765 807671363 /nfs/dbraw/zinc/67/13/63/807671363.db2.gz ARCZSYNTJGXRRZ-INIZCTEOSA-N 2 3 295.515 3.090 20 0 CGADHP CCCC[NH+]1CCC(C[NH2+][C@H](C)CCN(CC)CC)CC1 ZINC001255950519 806795880 /nfs/dbraw/zinc/79/58/80/806795880.db2.gz ITRXKDQJJMFEGP-QGZVFWFLSA-N 2 3 297.531 3.209 20 0 CGADHP CCCC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246493873 804358287 /nfs/dbraw/zinc/35/82/87/804358287.db2.gz AYWJLHHBAIUYHS-KURKYZTESA-N 2 3 295.515 3.138 20 0 CGADHP CCCC[C@@H]1C[C@@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246493873 804358294 /nfs/dbraw/zinc/35/82/94/804358294.db2.gz AYWJLHHBAIUYHS-KURKYZTESA-N 2 3 295.515 3.138 20 0 CGADHP C[C@H](NCCCCCCC[NH+]1CCCC1)[C@H]1CCCC[NH2+]1 ZINC000817914124 632235161 /nfs/dbraw/zinc/23/51/61/632235161.db2.gz QYNJCMFNWIEVIZ-ZWKOTPCHSA-N 2 3 295.515 3.153 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+]C[C@@H](C)CC(C)(C)CC[NH3+] ZINC001255953156 806796886 /nfs/dbraw/zinc/79/68/86/806796886.db2.gz XQJWSBHLXWZCCP-HOTGVXAUSA-N 2 3 285.520 3.098 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001258899756 807668824 /nfs/dbraw/zinc/66/88/24/807668824.db2.gz QIDPYKYWFZTABG-MSOLQXFVSA-N 2 3 297.531 3.351 20 0 CGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566988 819538265 /nfs/dbraw/zinc/53/82/65/819538265.db2.gz QGPRUAVWEAGKER-BQFCYCMXSA-N 2 3 293.499 3.033 20 0 CGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566988 819538267 /nfs/dbraw/zinc/53/82/67/819538267.db2.gz QGPRUAVWEAGKER-BQFCYCMXSA-N 2 3 293.499 3.033 20 0 CGADHP C[C@@H](CCCC[NH3+])[NH2+]C1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000415016932 380505766 /nfs/dbraw/zinc/50/57/66/380505766.db2.gz QTNLFGQYIQXUSC-SOLBZPMBSA-N 2 3 295.515 3.137 20 0 CGADHP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000841078298 635118651 /nfs/dbraw/zinc/11/86/51/635118651.db2.gz FESJEZVDXORVRR-INIZCTEOSA-N 2 3 295.515 3.138 20 0 CGADHP CCCC[C@@H]1C[C@H]([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CCN1 ZINC001246340381 804292511 /nfs/dbraw/zinc/29/25/11/804292511.db2.gz UKQABOOJVOQSGZ-BRWVUGGUSA-N 2 3 297.531 3.288 20 0 CGADHP CC[NH+](CC)C1CCC([NH2+][C@@H]2CCC[C@@H](N(C)C)C2)CC1 ZINC001173107455 808511715 /nfs/dbraw/zinc/51/17/15/808511715.db2.gz SBWOGMZXINYLSU-GPQLOAJWSA-N 2 3 295.515 3.102 20 0 CGADHP CC(C)(C)CC[C@@H](N)C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000904358321 621913160 /nfs/dbraw/zinc/91/31/60/621913160.db2.gz LBTVNPVZSJDSQY-SJORKVTESA-N 2 3 291.483 3.210 20 0 CGADHP C[C@H]1C[C@@H]([NH2+]CCCCCCCCCCC[NH3+])CCN1 ZINC001246335745 804291386 /nfs/dbraw/zinc/29/13/86/804291386.db2.gz LVBPFZLKLCASAG-IRXDYDNUSA-N 2 3 283.504 3.186 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001255942694 806791129 /nfs/dbraw/zinc/79/11/29/806791129.db2.gz AJOXIWWDGYSEJV-XYJFISCASA-N 2 3 297.531 3.240 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001255955447 806798799 /nfs/dbraw/zinc/79/87/99/806798799.db2.gz UAXUUSLONLBPIY-OKZBNKHCSA-N 2 3 297.531 3.349 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)N1CCC([NH3+])(CC2CC2)CC1 ZINC001258903766 807671389 /nfs/dbraw/zinc/67/13/89/807671389.db2.gz ARCZSYNTJGXRRZ-MRXNPFEDSA-N 2 3 295.515 3.090 20 0 CGADHP CN1C(C)(C)CC([NH2+][C@H]2CC[C@H]([NH+](C)C)CC2)CC1(C)C ZINC001171627029 808107575 /nfs/dbraw/zinc/10/75/75/808107575.db2.gz JFLCGBYWGAFKMO-KOMQPUFPSA-N 2 3 295.515 3.100 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[NH2+]CCCN1CCCC[C@@H]1C ZINC001258899758 807668906 /nfs/dbraw/zinc/66/89/06/807668906.db2.gz QIDPYKYWFZTABG-ROUUACIJSA-N 2 3 297.531 3.351 20 0 CGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246493879 804358921 /nfs/dbraw/zinc/35/89/21/804358921.db2.gz AYWJLHHBAIUYHS-KZNAEPCWSA-N 2 3 295.515 3.138 20 0 CGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@H](CCC[NH3+])C2)CCN1 ZINC001246493879 804358930 /nfs/dbraw/zinc/35/89/30/804358930.db2.gz AYWJLHHBAIUYHS-KZNAEPCWSA-N 2 3 295.515 3.138 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@@H]2CCCC[C@@H]2C)CC1 ZINC000415019423 298390779 /nfs/dbraw/zinc/39/07/79/298390779.db2.gz VVQZOXVCTAAGCL-LZLYRXPVSA-N 2 3 295.515 3.137 20 0 CGADHP C[C@@H](CCCC[NH3+])[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415016931 286803714 /nfs/dbraw/zinc/80/37/14/286803714.db2.gz QTNLFGQYIQXUSC-RYRKJORJSA-N 2 3 295.515 3.137 20 0 CGADHP C[C@@H](NCCCCCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000817914121 632235021 /nfs/dbraw/zinc/23/50/21/632235021.db2.gz QYNJCMFNWIEVIZ-MSOLQXFVSA-N 2 3 295.515 3.153 20 0 CGADHP CC1([NH+]2CCC2)CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000925862045 638634025 /nfs/dbraw/zinc/63/40/25/638634025.db2.gz WPXKYUNYOJLJAQ-MJGSYPLASA-N 2 3 299.462 3.128 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1 ZINC001255942693 806790941 /nfs/dbraw/zinc/79/09/41/806790941.db2.gz AJOXIWWDGYSEJV-LZLYRXPVSA-N 2 3 297.531 3.240 20 0 CGADHP CCCCN(C)CCC[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246184691 804197443 /nfs/dbraw/zinc/19/74/43/804197443.db2.gz NDCGKTTVRNFZNJ-UHFFFAOYSA-N 2 3 295.515 3.010 20 0 CGADHP [NH3+]CCCCCCCCCCCN[C@@H]1CCCC[NH2+]C1 ZINC001246337987 804292544 /nfs/dbraw/zinc/29/25/44/804292544.db2.gz ZAIUQDSVVZLLJT-QGZVFWFLSA-N 2 3 283.504 3.188 20 0 CGADHP CC(C)CN1CCC([NH2+]C[C@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001258004075 807262988 /nfs/dbraw/zinc/26/29/88/807262988.db2.gz BLMVXWMYLVKUSU-MRXNPFEDSA-N 2 3 297.531 3.098 20 0 CGADHP CN(CCCC[NH+]1CCCCC1)CCC[NH+]1CCCCC1 ZINC001460695364 937540654 /nfs/dbraw/zinc/54/06/54/937540654.db2.gz ZJMKMZVQCJPXAU-UHFFFAOYSA-N 2 3 295.515 3.060 20 0 CGADHP NC[C@H]1CCCC[C@H]1[NH2+]CCCCCCC[NH+]1CCCC1 ZINC000817914127 632235430 /nfs/dbraw/zinc/23/54/30/632235430.db2.gz RAIMTKQXXXUXJY-QZTJIDSGSA-N 2 3 295.515 3.140 20 0 CGADHP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222237 636163391 /nfs/dbraw/zinc/16/33/91/636163391.db2.gz VECICKLQFYVCPN-ROUUACIJSA-N 2 3 295.515 3.092 20 0 CGADHP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCCC[NH3+])C1 ZINC000846222237 636163393 /nfs/dbraw/zinc/16/33/93/636163393.db2.gz VECICKLQFYVCPN-ROUUACIJSA-N 2 3 295.515 3.092 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCCC[C@@]12CCCNC2 ZINC001246650496 804479118 /nfs/dbraw/zinc/47/91/18/804479118.db2.gz IWDKOTHSKORVBE-MSOLQXFVSA-N 2 3 295.515 3.105 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCCC[C@@]12CCCNC2 ZINC001246650496 804479120 /nfs/dbraw/zinc/47/91/20/804479120.db2.gz IWDKOTHSKORVBE-MSOLQXFVSA-N 2 3 295.515 3.105 20 0 CGADHP [NH3+][C@H]1CC[C@H]([N@H+](CC[C@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566989 819538310 /nfs/dbraw/zinc/53/83/10/819538310.db2.gz QGPRUAVWEAGKER-JFIYKMOQSA-N 2 3 293.499 3.033 20 0 CGADHP [NH3+][C@H]1CC[C@H]([N@@H+](CC[C@H]2CCCCN2)C2CCCC2)CC1 ZINC001236566989 819538314 /nfs/dbraw/zinc/53/83/14/819538314.db2.gz QGPRUAVWEAGKER-JFIYKMOQSA-N 2 3 293.499 3.033 20 0 CGADHP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080793 804117278 /nfs/dbraw/zinc/11/72/78/804117278.db2.gz OOFBNAPPUJRVBB-HOTGVXAUSA-N 2 3 283.504 3.042 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCCN)C1CCCCC1 ZINC001258897778 807667889 /nfs/dbraw/zinc/66/78/89/807667889.db2.gz CFNAEBBBFQARBC-QGZVFWFLSA-N 2 3 297.531 3.480 20 0 CGADHP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCCN)C1CCCCC1 ZINC001258897778 807667891 /nfs/dbraw/zinc/66/78/91/807667891.db2.gz CFNAEBBBFQARBC-QGZVFWFLSA-N 2 3 297.531 3.480 20 0 CGADHP [NH3+]CCCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000846221767 636163539 /nfs/dbraw/zinc/16/35/39/636163539.db2.gz NSROOWOKPBYBEI-SFHVURJKSA-N 2 3 295.515 3.094 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1 ZINC001255942682 806791278 /nfs/dbraw/zinc/79/12/78/806791278.db2.gz AJOXIWWDGYSEJV-BQFCYCMXSA-N 2 3 297.531 3.240 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952363 806795843 /nfs/dbraw/zinc/79/58/43/806795843.db2.gz MGWCMOVVMHCUNQ-KZNAEPCWSA-N 2 3 297.531 3.335 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@@H+](CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952363 806795845 /nfs/dbraw/zinc/79/58/45/806795845.db2.gz MGWCMOVVMHCUNQ-KZNAEPCWSA-N 2 3 297.531 3.335 20 0 CGADHP CCN(CC)CC[C@H](C)[N@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951808 806795764 /nfs/dbraw/zinc/79/57/64/806795764.db2.gz BBBMJSYNHNUAMI-SZMVWBNQSA-N 2 3 295.515 3.089 20 0 CGADHP CCN(CC)CC[C@H](C)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255951808 806795767 /nfs/dbraw/zinc/79/57/67/806795767.db2.gz BBBMJSYNHNUAMI-SZMVWBNQSA-N 2 3 295.515 3.089 20 0 CGADHP C[C@@H]1CC[C@@H](NCCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332037 804288186 /nfs/dbraw/zinc/28/81/86/804288186.db2.gz DAFURAKSTQKIHC-IAGOWNOFSA-N 2 3 283.504 3.186 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000157252806 279101651 /nfs/dbraw/zinc/10/16/51/279101651.db2.gz WDZHDMXBFLZQAO-JCGIZDLHSA-N 2 3 289.467 3.231 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953864 806796586 /nfs/dbraw/zinc/79/65/86/806796586.db2.gz PZXRWXCMASXCTO-JFIYKMOQSA-N 2 3 295.515 3.231 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@@H+](C1CCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255953864 806796590 /nfs/dbraw/zinc/79/65/90/806796590.db2.gz PZXRWXCMASXCTO-JFIYKMOQSA-N 2 3 295.515 3.231 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001255955444 806798088 /nfs/dbraw/zinc/79/80/88/806798088.db2.gz UAXUUSLONLBPIY-BZSNNMDCSA-N 2 3 297.531 3.349 20 0 CGADHP CC(C)(C)N1CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256558186 806915667 /nfs/dbraw/zinc/91/56/67/806915667.db2.gz JSMLETRBTWIEHD-UHFFFAOYSA-N 2 3 295.515 3.233 20 0 CGADHP CC(C)(C)N1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001256558186 806915670 /nfs/dbraw/zinc/91/56/70/806915670.db2.gz JSMLETRBTWIEHD-UHFFFAOYSA-N 2 3 295.515 3.233 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001255952238 806795712 /nfs/dbraw/zinc/79/57/12/806795712.db2.gz UAXUUSLONLBPIY-AOCRQIFASA-N 2 3 297.531 3.349 20 0 CGADHP C[C@H](CCC[NH3+])[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000423469940 533868229 /nfs/dbraw/zinc/86/82/29/533868229.db2.gz ZBMPORRHVDMOJT-OAHLLOKOSA-N 2 3 297.531 3.383 20 0 CGADHP C[C@H]1CC[C@H](NCCCCCCCCCCC[NH3+])C[NH2+]1 ZINC001246332039 804288544 /nfs/dbraw/zinc/28/85/44/804288544.db2.gz DAFURAKSTQKIHC-IRXDYDNUSA-N 2 3 283.504 3.186 20 0 CGADHP C[C@@H]1C[C@@H]([N@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408887 804324650 /nfs/dbraw/zinc/32/46/50/804324650.db2.gz XRKUCAIIGRWCDE-AHCXZYCDSA-N 2 3 293.499 3.032 20 0 CGADHP C[C@@H]1C[C@@H]([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CCN1 ZINC001246408887 804324658 /nfs/dbraw/zinc/32/46/58/804324658.db2.gz XRKUCAIIGRWCDE-AHCXZYCDSA-N 2 3 293.499 3.032 20 0 CGADHP CC(C)CN1CCC([NH2+]C[C@@H](C)CC(C)(C)CC[NH3+])CC1 ZINC001258004074 807262637 /nfs/dbraw/zinc/26/26/37/807262637.db2.gz BLMVXWMYLVKUSU-INIZCTEOSA-N 2 3 297.531 3.098 20 0 CGADHP C[C@H](NCCCCCCC[NH+]1CCCC1)[C@@H]1CCCC[NH2+]1 ZINC000817914123 632235057 /nfs/dbraw/zinc/23/50/57/632235057.db2.gz QYNJCMFNWIEVIZ-ROUUACIJSA-N 2 3 295.515 3.153 20 0 CGADHP CC(C)N(C)CCC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000886498436 637543158 /nfs/dbraw/zinc/54/31/58/637543158.db2.gz AIHOZCSHAFPUMV-UHFFFAOYSA-N 2 3 295.515 3.103 20 0 CGADHP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCCCCCC[NH3+])CCN1 ZINC001246080792 804117173 /nfs/dbraw/zinc/11/71/73/804117173.db2.gz OOFBNAPPUJRVBB-CVEARBPZSA-N 2 3 283.504 3.042 20 0 CGADHP CNCC[C@H](C)[N@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402221 804321983 /nfs/dbraw/zinc/32/19/83/804321983.db2.gz KTLQGOSBCUOOEL-SZMVWBNQSA-N 2 3 295.515 3.137 20 0 CGADHP CNCC[C@H](C)[N@@H+](CC1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001246402221 804321992 /nfs/dbraw/zinc/32/19/92/804321992.db2.gz KTLQGOSBCUOOEL-SZMVWBNQSA-N 2 3 295.515 3.137 20 0 CGADHP CCN(C)C1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173112679 808513746 /nfs/dbraw/zinc/51/37/46/808513746.db2.gz BQJCPXWLHSBPGH-UHFFFAOYSA-N 2 3 295.515 3.056 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN([C@H]2CCC[C@@H](C)C2)CC1 ZINC000415016930 380505676 /nfs/dbraw/zinc/50/56/76/380505676.db2.gz QTNLFGQYIQXUSC-NUJGCVRESA-N 2 3 295.515 3.137 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952248 806794993 /nfs/dbraw/zinc/79/49/93/806794993.db2.gz DPMGCWRMZNFZJY-BRWVUGGUSA-N 2 3 283.504 3.087 20 0 CGADHP CCN(CC)CC[C@@H](C)[N@@H+](C(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255952248 806794995 /nfs/dbraw/zinc/79/49/95/806794995.db2.gz DPMGCWRMZNFZJY-BRWVUGGUSA-N 2 3 283.504 3.087 20 0 CGADHP CCN(CC)CC[C@H](C)[NH2+]C[C@H](C)CC(C)(C)CC[NH3+] ZINC001255953155 806796913 /nfs/dbraw/zinc/79/69/13/806796913.db2.gz XQJWSBHLXWZCCP-CVEARBPZSA-N 2 3 285.520 3.098 20 0 CGADHP CC1([NH+]2CCC2)CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925862047 638634130 /nfs/dbraw/zinc/63/41/30/638634130.db2.gz WPXKYUNYOJLJAQ-NBLCHNQSSA-N 2 3 299.462 3.128 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246247392 804236739 /nfs/dbraw/zinc/23/67/39/804236739.db2.gz GLYMXQKPXKTVLU-MRXNPFEDSA-N 2 3 295.515 3.009 20 0 CGADHP CCCC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246493883 804359475 /nfs/dbraw/zinc/35/94/75/804359475.db2.gz AYWJLHHBAIUYHS-RCCFBDPRSA-N 2 3 295.515 3.138 20 0 CGADHP CCCC[C@@H]1C[C@H]([N@H+]2CCCC[C@@H](CCC[NH3+])C2)CCN1 ZINC001246493883 804359482 /nfs/dbraw/zinc/35/94/82/804359482.db2.gz AYWJLHHBAIUYHS-RCCFBDPRSA-N 2 3 295.515 3.138 20 0 CGADHP CC(C)CN1CCC([NH+]2C(C)(C)CC([NH3+])CC2(C)C)CC1 ZINC001258003016 807263389 /nfs/dbraw/zinc/26/33/89/807263389.db2.gz UFBFNVUPHVPPOM-UHFFFAOYSA-N 2 3 295.515 3.087 20 0 CGADHP CN1C(C)(C)CC([NH2+]C2CCC([NH+](C)C)CC2)CC1(C)C ZINC001168299289 807376599 /nfs/dbraw/zinc/37/65/99/807376599.db2.gz JFLCGBYWGAFKMO-UHFFFAOYSA-N 2 3 295.515 3.100 20 0 CGADHP CC1([NH+]2CCC2)CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000925862048 638633935 /nfs/dbraw/zinc/63/39/35/638633935.db2.gz WPXKYUNYOJLJAQ-UGAWAQNWSA-N 2 3 299.462 3.128 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+]CC1CC[NH+](CC(C)C)CC1 ZINC001255953824 806797216 /nfs/dbraw/zinc/79/72/16/806797216.db2.gz PIUKRKKAQNGWQQ-QGZVFWFLSA-N 2 3 297.531 3.064 20 0 CGADHP CCN(CC)CC[C@H](C)[N@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962545 806799329 /nfs/dbraw/zinc/79/93/29/806799329.db2.gz WSFPSKYXYGWFJY-KRWDZBQOSA-N 2 3 297.531 3.159 20 0 CGADHP CCN(CC)CC[C@H](C)[N@@H+](C)CC1CC[NH+](C(C)C)CC1 ZINC001255962545 806799332 /nfs/dbraw/zinc/79/93/32/806799332.db2.gz WSFPSKYXYGWFJY-KRWDZBQOSA-N 2 3 297.531 3.159 20 0 CGADHP CC[NH+](CC)CCC[C@H](C)[NH+]1C(C)(C)CC(N)CC1(C)C ZINC001258899973 807668676 /nfs/dbraw/zinc/66/86/76/807668676.db2.gz XGHLZRPLFIGYKE-HNNXBMFYSA-N 2 3 297.531 3.477 20 0 CGADHP CC(C)(C)C[N@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766638 819592286 /nfs/dbraw/zinc/59/22/86/819592286.db2.gz BCIUTIGUAYSHBJ-BRWVUGGUSA-N 2 3 295.515 3.137 20 0 CGADHP CC(C)(C)C[N@@H+](CC[C@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236766638 819592289 /nfs/dbraw/zinc/59/22/89/819592289.db2.gz BCIUTIGUAYSHBJ-BRWVUGGUSA-N 2 3 295.515 3.137 20 0 CGADHP C[C@@H](CCC[NH3+])[NH2+]C1CCN(C(C)(C)CC(C)(C)C)CC1 ZINC000423469936 236078514 /nfs/dbraw/zinc/07/85/14/236078514.db2.gz ZBMPORRHVDMOJT-HNNXBMFYSA-N 2 3 297.531 3.383 20 0 CGADHP CCN(CC)CC[C@@H](C)[NH2+][C@H]1CC[C@H]([NH+](CC)CC)CC1 ZINC001255955446 806798080 /nfs/dbraw/zinc/79/80/80/806798080.db2.gz UAXUUSLONLBPIY-KZNAEPCWSA-N 2 3 297.531 3.349 20 0 CGADHP C[C@H](CCCC[NH3+])[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000841078299 635119017 /nfs/dbraw/zinc/11/90/17/635119017.db2.gz FESJEZVDXORVRR-MRXNPFEDSA-N 2 3 295.515 3.138 20 0 CGADHP CCC(CC)[N@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781949 819593814 /nfs/dbraw/zinc/59/38/14/819593814.db2.gz CIFGLPRKQRYWCI-BQFCYCMXSA-N 2 3 295.515 3.279 20 0 CGADHP CCC(CC)[N@@H+](CC[C@@H]1CCCCN1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236781949 819593820 /nfs/dbraw/zinc/59/38/20/819593820.db2.gz CIFGLPRKQRYWCI-BQFCYCMXSA-N 2 3 295.515 3.279 20 0 CGADHP