smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000160474165 279157032 /nfs/dbraw/zinc/15/70/32/279157032.db2.gz XYBAAAVWNOZAJX-CQSZACIVSA-N 2 1 302.466 3.151 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014120 432754150 /nfs/dbraw/zinc/75/41/50/432754150.db2.gz RYMYORVAPYQTSR-SIXWZSSISA-N 2 1 318.461 3.227 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014120 432754155 /nfs/dbraw/zinc/75/41/55/432754155.db2.gz RYMYORVAPYQTSR-SIXWZSSISA-N 2 1 318.461 3.227 20 70 DGIDMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161016034 432755227 /nfs/dbraw/zinc/75/52/27/432755227.db2.gz AOSOFSNDKUOAHB-KKUMJFAQSA-N 2 1 306.450 3.227 20 70 DGIDMP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298346 432771952 /nfs/dbraw/zinc/77/19/52/432771952.db2.gz VUFQKHVZLZYQLO-VXNCWWDNSA-N 2 1 304.478 3.158 20 70 DGIDMP Cc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000160765218 432741349 /nfs/dbraw/zinc/74/13/49/432741349.db2.gz ALAYCCISNUGJEZ-FUHWJXTLSA-N 2 1 322.468 3.330 20 70 DGIDMP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298262 432771030 /nfs/dbraw/zinc/77/10/30/432771030.db2.gz VUFQKHVZLZYQLO-MTNOOBJLSA-N 2 1 304.478 3.158 20 70 DGIDMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160662428 432733630 /nfs/dbraw/zinc/73/36/30/432733630.db2.gz IIDICVIIBSAZPW-RTBURBONSA-N 2 1 304.478 3.354 20 70 DGIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1 ZINC000160674925 432735740 /nfs/dbraw/zinc/73/57/40/432735740.db2.gz OQGXQAJBJCHFHR-RTBURBONSA-N 2 1 304.478 3.273 20 70 DGIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106849 299421970 /nfs/dbraw/zinc/42/19/70/299421970.db2.gz HQAJJISYTXWBFD-BPUTZDHNSA-N 2 1 307.457 3.415 20 70 DGIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000161476833 197497010 /nfs/dbraw/zinc/49/70/10/197497010.db2.gz GCQINBYRYCEVBO-CHWSQXEVSA-N 2 1 303.475 3.472 20 70 DGIDMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312124 197399824 /nfs/dbraw/zinc/39/98/24/197399824.db2.gz SSEBCCJGELLYDY-ZMSDIMECSA-N 2 1 308.441 3.303 20 70 DGIDMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000159955873 197375639 /nfs/dbraw/zinc/37/56/39/197375639.db2.gz XHDVYWZMFNJVHZ-IBGZPJMESA-N 2 1 316.489 3.241 20 70 DGIDMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007571 432754563 /nfs/dbraw/zinc/75/45/63/432754563.db2.gz FHEQIBTWHHOWLY-MJGOQNOKSA-N 3 1 307.526 3.246 20 70 DGIDMP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161100196 432759716 /nfs/dbraw/zinc/75/97/16/432759716.db2.gz ZWQWIULLQJEMKM-QBUWPKIASA-N 2 1 302.462 3.197 20 70 DGIDMP Cc1nccn1CCCC[N@H+](C)CCOc1ccccc1F ZINC000161318152 432772918 /nfs/dbraw/zinc/77/29/18/432772918.db2.gz MKCQBBVHFRDTPW-UHFFFAOYSA-N 2 1 305.397 3.122 20 70 DGIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccccc1F ZINC000161318152 432772924 /nfs/dbraw/zinc/77/29/24/432772924.db2.gz MKCQBBVHFRDTPW-UHFFFAOYSA-N 2 1 305.397 3.122 20 70 DGIDMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccccc1F ZINC000161318152 432772932 /nfs/dbraw/zinc/77/29/32/432772932.db2.gz MKCQBBVHFRDTPW-UHFFFAOYSA-N 2 1 305.397 3.122 20 70 DGIDMP COC(=O)[C@H](C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439921 432779951 /nfs/dbraw/zinc/77/99/51/432779951.db2.gz UNUUZIWSYYEIOE-SJLPKXTDSA-N 2 1 318.461 3.002 20 70 DGIDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604995 432730049 /nfs/dbraw/zinc/73/00/49/432730049.db2.gz XPXMJBQRKXZACV-IIAWOOMASA-N 2 1 321.534 3.273 20 70 DGIDMP c1ccc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160648275 432733758 /nfs/dbraw/zinc/73/37/58/432733758.db2.gz XIVJFFWGMOQYHL-UHFFFAOYSA-N 2 1 301.478 3.075 20 70 DGIDMP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160674626 432735029 /nfs/dbraw/zinc/73/50/29/432735029.db2.gz LTCQVCOIJVLDHG-QFBILLFUSA-N 2 1 304.478 3.137 20 70 DGIDMP C[C@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160731882 432739290 /nfs/dbraw/zinc/73/92/90/432739290.db2.gz CSZLTQOECSDVLO-QKLQHJQFSA-N 2 1 316.489 3.452 20 70 DGIDMP CC[C@@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312249 197399946 /nfs/dbraw/zinc/39/99/46/197399946.db2.gz SSEBCCJGELLYDY-ZOBUZTSGSA-N 2 1 308.441 3.303 20 70 DGIDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158664 432763746 /nfs/dbraw/zinc/76/37/46/432763746.db2.gz AMCALJDKFJBCKM-WFASDCNBSA-N 2 1 316.367 3.058 20 70 DGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(C)cc1 ZINC000160674789 432735838 /nfs/dbraw/zinc/73/58/38/432735838.db2.gz OQGXQAJBJCHFHR-MOPGFXCFSA-N 2 1 304.478 3.273 20 70 DGIDMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025363 546064692 /nfs/dbraw/zinc/06/46/92/546064692.db2.gz KKQDZKSKRJCPGU-DLBZAZTESA-N 3 1 309.542 3.207 20 70 DGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025363 546064695 /nfs/dbraw/zinc/06/46/95/546064695.db2.gz KKQDZKSKRJCPGU-DLBZAZTESA-N 3 1 309.542 3.207 20 70 DGIDMP Fc1ccccc1SCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161343845 546068290 /nfs/dbraw/zinc/06/82/90/546068290.db2.gz GSMNYAUDMBXUNN-UHFFFAOYSA-N 2 1 317.433 3.135 20 70 DGIDMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110486 197466051 /nfs/dbraw/zinc/46/60/51/197466051.db2.gz CKMVWEXEFRIQQR-KFWWJZLASA-N 2 1 306.450 3.227 20 70 DGIDMP c1ccc(COC[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279006 432769265 /nfs/dbraw/zinc/76/92/65/432769265.db2.gz JWMSLIYLGMZTFQ-HXUWFJFHSA-N 2 1 316.489 3.401 20 70 DGIDMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000160742007 432738485 /nfs/dbraw/zinc/73/84/85/432738485.db2.gz LDZUPKYTHORDKE-MSOLQXFVSA-N 2 1 308.441 3.103 20 70 DGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000160495360 525461161 /nfs/dbraw/zinc/46/11/61/525461161.db2.gz OZMXXMQYHMOGDI-INIZCTEOSA-N 2 1 302.462 3.187 20 70 DGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000160738932 285290979 /nfs/dbraw/zinc/29/09/79/285290979.db2.gz RESCCIOZWHXAAE-QUCCMNQESA-N 2 1 316.489 3.281 20 70 DGIDMP CC(C)[N@@H+](C)CCCNCc1csc(-c2ccccn2)n1 ZINC000218211613 432658192 /nfs/dbraw/zinc/65/81/92/432658192.db2.gz ZWUPWHQWHFAFOO-UHFFFAOYSA-N 2 1 304.463 3.025 20 70 DGIDMP CN(c1ccccc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161405733 432777729 /nfs/dbraw/zinc/77/77/29/432777729.db2.gz KCXLCUJHDSEFJW-UHFFFAOYSA-N 2 1 315.505 3.463 20 70 DGIDMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000161444765 432780112 /nfs/dbraw/zinc/78/01/12/432780112.db2.gz KPDMVCJOWXOROY-UHFFFAOYSA-N 2 1 312.461 3.184 20 70 DGIDMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000161444765 432780115 /nfs/dbraw/zinc/78/01/15/432780115.db2.gz KPDMVCJOWXOROY-UHFFFAOYSA-N 2 1 312.461 3.184 20 70 DGIDMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccn1 ZINC000160814702 432744663 /nfs/dbraw/zinc/74/46/63/432744663.db2.gz SQBZONUECYUSMH-BQFCYCMXSA-N 2 1 319.493 3.325 20 70 DGIDMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccn1 ZINC000160814702 432744665 /nfs/dbraw/zinc/74/46/65/432744665.db2.gz SQBZONUECYUSMH-BQFCYCMXSA-N 2 1 319.493 3.325 20 70 DGIDMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC000160680085 197431206 /nfs/dbraw/zinc/43/12/06/197431206.db2.gz ZKLAUURCPLIXAX-QZTJIDSGSA-N 2 1 304.478 3.191 20 70 DGIDMP C[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000160896993 276888125 /nfs/dbraw/zinc/88/81/25/276888125.db2.gz UJBJFSVIBMLBNL-UHFFFAOYSA-N 2 1 322.880 3.072 20 70 DGIDMP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106719 278370511 /nfs/dbraw/zinc/37/05/11/278370511.db2.gz HQAJJISYTXWBFD-BMFZPTHFSA-N 2 1 307.457 3.415 20 70 DGIDMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007181 432754541 /nfs/dbraw/zinc/75/45/41/432754541.db2.gz FHEQIBTWHHOWLY-PKOBYXMFSA-N 3 1 307.526 3.246 20 70 DGIDMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161160079 432763883 /nfs/dbraw/zinc/76/38/83/432763883.db2.gz MOINAWHWOQLIQO-IBGZPJMESA-N 2 1 307.526 3.248 20 70 DGIDMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000161288340 432771820 /nfs/dbraw/zinc/77/18/20/432771820.db2.gz ODTNFJPPSHUTEE-UHFFFAOYSA-N 2 1 317.433 3.121 20 70 DGIDMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)c(OC)c1 ZINC000161288340 432771822 /nfs/dbraw/zinc/77/18/22/432771822.db2.gz ODTNFJPPSHUTEE-UHFFFAOYSA-N 2 1 317.433 3.121 20 70 DGIDMP COC(=O)[C@H](C)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439677 432779100 /nfs/dbraw/zinc/77/91/00/432779100.db2.gz UNUUZIWSYYEIOE-AEFFLSMTSA-N 2 1 318.461 3.002 20 70 DGIDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOCC2CC2)CC1 ZINC000160363125 523342436 /nfs/dbraw/zinc/34/24/36/523342436.db2.gz QINOGYGBBPNERU-UHFFFAOYSA-N 2 1 316.489 3.257 20 70 DGIDMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312366 432714069 /nfs/dbraw/zinc/71/40/69/432714069.db2.gz SSEBCCJGELLYDY-UXLLHSPISA-N 2 1 308.441 3.303 20 70 DGIDMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999573 432753390 /nfs/dbraw/zinc/75/33/90/432753390.db2.gz RYUMUGKWZBCPRC-XWIAVFTESA-N 2 1 303.450 3.168 20 70 DGIDMP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298473 432772094 /nfs/dbraw/zinc/77/20/94/432772094.db2.gz VUFQKHVZLZYQLO-YWTNHNAXSA-N 2 1 304.478 3.158 20 70 DGIDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CCN1C ZINC000160519380 432724120 /nfs/dbraw/zinc/72/41/20/432724120.db2.gz NGRDUHNHEUSORH-FUHWJXTLSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519380 432724125 /nfs/dbraw/zinc/72/41/25/432724125.db2.gz NGRDUHNHEUSORH-FUHWJXTLSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519380 432724127 /nfs/dbraw/zinc/72/41/27/432724127.db2.gz NGRDUHNHEUSORH-FUHWJXTLSA-N 2 1 316.493 3.034 20 70 DGIDMP CCCC[N@@H+](C)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161288720 432771366 /nfs/dbraw/zinc/77/13/66/432771366.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 3 1 309.542 3.306 20 70 DGIDMP CCCC[N@H+](C)CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161288720 432771370 /nfs/dbraw/zinc/77/13/70/432771370.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 2 1 309.542 3.306 20 70 DGIDMP CCCC[N@@H+](C)CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161288720 432771375 /nfs/dbraw/zinc/77/13/75/432771375.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 2 1 309.542 3.306 20 70 DGIDMP CCCC[N@H+](C)CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161288720 432771377 /nfs/dbraw/zinc/77/13/77/432771377.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 2 1 309.542 3.306 20 70 DGIDMP CCCC[N@@H+](C)CC1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161288720 432771381 /nfs/dbraw/zinc/77/13/81/432771381.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 2 1 309.542 3.306 20 70 DGIDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000160670293 432733611 /nfs/dbraw/zinc/73/36/11/432733611.db2.gz KQHMMTKOCAZZJH-IEBWSBKVSA-N 2 1 318.505 3.179 20 70 DGIDMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000160674499 432736319 /nfs/dbraw/zinc/73/63/19/432736319.db2.gz LTCQVCOIJVLDHG-VQIMIIECSA-N 2 1 304.478 3.137 20 70 DGIDMP Cc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000218095058 432659081 /nfs/dbraw/zinc/65/90/81/432659081.db2.gz HYQVBHUYGMMPRB-CVEARBPZSA-N 2 1 323.278 3.474 20 70 DGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218095058 432659083 /nfs/dbraw/zinc/65/90/83/432659083.db2.gz HYQVBHUYGMMPRB-CVEARBPZSA-N 2 1 323.278 3.474 20 70 DGIDMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000218095058 432659084 /nfs/dbraw/zinc/65/90/84/432659084.db2.gz HYQVBHUYGMMPRB-CVEARBPZSA-N 2 1 323.278 3.474 20 70 DGIDMP c1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160440656 432722037 /nfs/dbraw/zinc/72/20/37/432722037.db2.gz MIYKOBDNLKDRMY-OAQYLSRUSA-N 2 1 322.452 3.296 20 70 DGIDMP CC(C)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160500476 432724138 /nfs/dbraw/zinc/72/41/38/432724138.db2.gz ZIUJCVNOMHORCB-IBGZPJMESA-N 2 1 302.462 3.043 20 70 DGIDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394332 432776942 /nfs/dbraw/zinc/77/69/42/432776942.db2.gz NYWIWKUFRRBUJD-GOSISDBHSA-N 2 1 302.462 3.152 20 70 DGIDMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)n1 ZINC000160474293 279157406 /nfs/dbraw/zinc/15/74/06/279157406.db2.gz XYBAAAVWNOZAJX-AWEZNQCLSA-N 2 1 302.466 3.151 20 70 DGIDMP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000161390491 432775993 /nfs/dbraw/zinc/77/59/93/432775993.db2.gz AAAZDLFEUZXXDP-LPHOPBHVSA-N 2 1 304.478 3.338 20 70 DGIDMP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000160758012 432738833 /nfs/dbraw/zinc/73/88/33/432738833.db2.gz VKKZERZGHLOOCA-RTBURBONSA-N 2 1 318.505 3.499 20 70 DGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000160739055 432739413 /nfs/dbraw/zinc/73/94/13/432739413.db2.gz RESCCIOZWHXAAE-UYAOXDASSA-N 2 1 316.489 3.281 20 70 DGIDMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999449 277087845 /nfs/dbraw/zinc/08/78/45/277087845.db2.gz RYUMUGKWZBCPRC-VHSSKADRSA-N 2 1 303.450 3.168 20 70 DGIDMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000161014683 277990798 /nfs/dbraw/zinc/99/07/98/277990798.db2.gz BPWFHSPWWVGRBF-IIDMSEBBSA-N 2 1 318.461 3.371 20 70 DGIDMP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161384565 432776034 /nfs/dbraw/zinc/77/60/34/432776034.db2.gz YMYYQUVJGCLRRN-AEFFLSMTSA-N 2 1 304.478 3.480 20 70 DGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000160745000 285290955 /nfs/dbraw/zinc/29/09/55/285290955.db2.gz KSXBQANKALVIMM-AEFFLSMTSA-N 2 1 322.880 3.154 20 70 DGIDMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514577 432656896 /nfs/dbraw/zinc/65/68/96/432656896.db2.gz LGPPERULEVNBRP-RYUDHWBXSA-N 2 1 302.340 3.317 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000159887298 432699997 /nfs/dbraw/zinc/69/99/97/432699997.db2.gz KZXYAIOVSUOPGT-MAUKXSAKSA-N 2 1 317.477 3.245 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000159887298 432699998 /nfs/dbraw/zinc/69/99/98/432699998.db2.gz KZXYAIOVSUOPGT-MAUKXSAKSA-N 2 1 317.477 3.245 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161013941 432754456 /nfs/dbraw/zinc/75/44/56/432754456.db2.gz RYMYORVAPYQTSR-IDHHARJASA-N 2 1 318.461 3.227 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161013941 432754460 /nfs/dbraw/zinc/75/44/60/432754460.db2.gz RYMYORVAPYQTSR-IDHHARJASA-N 2 1 318.461 3.227 20 70 DGIDMP COc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC000161220017 432767420 /nfs/dbraw/zinc/76/74/20/432767420.db2.gz SFROVWHRMZMAQL-UHFFFAOYSA-N 2 1 320.477 3.320 20 70 DGIDMP COc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1OC ZINC000161220017 432767423 /nfs/dbraw/zinc/76/74/23/432767423.db2.gz SFROVWHRMZMAQL-UHFFFAOYSA-N 2 1 320.477 3.320 20 70 DGIDMP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1SC ZINC000161508247 432782802 /nfs/dbraw/zinc/78/28/02/432782802.db2.gz UFQDDJMFJMRTLL-UHFFFAOYSA-N 2 1 308.491 3.335 20 70 DGIDMP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1SC ZINC000161508247 432782807 /nfs/dbraw/zinc/78/28/07/432782807.db2.gz UFQDDJMFJMRTLL-UHFFFAOYSA-N 2 1 308.491 3.335 20 70 DGIDMP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000161390373 432775867 /nfs/dbraw/zinc/77/58/67/432775867.db2.gz AAAZDLFEUZXXDP-QFBILLFUSA-N 2 1 304.478 3.338 20 70 DGIDMP COc1cccc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000160591881 432731193 /nfs/dbraw/zinc/73/11/93/432731193.db2.gz WBPMZHGYLGMGAZ-UHFFFAOYSA-N 2 1 302.462 3.188 20 70 DGIDMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000160492393 432722818 /nfs/dbraw/zinc/72/28/18/432722818.db2.gz MTPFCDVLFOXNSO-JSGCOSHPSA-N 2 1 316.367 3.157 20 70 DGIDMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999837 432753963 /nfs/dbraw/zinc/75/39/63/432753963.db2.gz RYUMUGKWZBCPRC-BVGQSLNGSA-N 2 1 303.450 3.168 20 70 DGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000161015557 432754766 /nfs/dbraw/zinc/75/47/66/432754766.db2.gz VOHSATNYOCYSKA-RCCFBDPRSA-N 2 1 309.542 3.207 20 70 DGIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000161015557 432754770 /nfs/dbraw/zinc/75/47/70/432754770.db2.gz VOHSATNYOCYSKA-RCCFBDPRSA-N 2 1 309.542 3.207 20 70 DGIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000161015557 432754775 /nfs/dbraw/zinc/75/47/75/432754775.db2.gz VOHSATNYOCYSKA-RCCFBDPRSA-N 2 1 309.542 3.207 20 70 DGIDMP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110714 432759880 /nfs/dbraw/zinc/75/98/80/432759880.db2.gz CKMVWEXEFRIQQR-ILXRZTDVSA-N 2 1 306.450 3.227 20 70 DGIDMP COC(=O)[C@@H](C)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439557 432780503 /nfs/dbraw/zinc/78/05/03/432780503.db2.gz UNUUZIWSYYEIOE-WMZOPIPTSA-N 2 1 318.461 3.002 20 70 DGIDMP CCc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160759523 432738280 /nfs/dbraw/zinc/73/82/80/432738280.db2.gz LEEABUZFPBNTOC-LSDHHAIUSA-N 2 1 310.507 3.198 20 70 DGIDMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160731759 432739170 /nfs/dbraw/zinc/73/91/70/432739170.db2.gz CSZLTQOECSDVLO-HLIPFELVSA-N 2 1 316.489 3.452 20 70 DGIDMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160500590 292815634 /nfs/dbraw/zinc/81/56/34/292815634.db2.gz ZIUJCVNOMHORCB-LJQANCHMSA-N 2 1 302.462 3.043 20 70 DGIDMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000161014576 295276451 /nfs/dbraw/zinc/27/64/51/295276451.db2.gz BPWFHSPWWVGRBF-RLFYNMQTSA-N 2 1 318.461 3.371 20 70 DGIDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273553 197396797 /nfs/dbraw/zinc/39/67/97/197396797.db2.gz VQUBQCWXXNMSRX-PONJGIIJSA-N 2 1 322.518 3.339 20 70 DGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273553 197396799 /nfs/dbraw/zinc/39/67/99/197396799.db2.gz VQUBQCWXXNMSRX-PONJGIIJSA-N 2 1 322.518 3.339 20 70 DGIDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161359145 278332971 /nfs/dbraw/zinc/33/29/71/278332971.db2.gz HELOVJHAEVVQEH-VQTJNVASSA-N 2 1 321.553 3.449 20 70 DGIDMP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161100302 432759790 /nfs/dbraw/zinc/75/97/90/432759790.db2.gz ZWQWIULLQJEMKM-MVCQKVDPSA-N 2 1 302.462 3.197 20 70 DGIDMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000160755898 432739428 /nfs/dbraw/zinc/73/94/28/432739428.db2.gz GFSQPEKILLVUBJ-RYRKJORJSA-N 2 1 310.445 3.038 20 70 DGIDMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccn1 ZINC000160814583 432744854 /nfs/dbraw/zinc/74/48/54/432744854.db2.gz SQBZONUECYUSMH-RYRKJORJSA-N 2 1 319.493 3.325 20 70 DGIDMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccn1 ZINC000160814583 432744859 /nfs/dbraw/zinc/74/48/59/432744859.db2.gz SQBZONUECYUSMH-RYRKJORJSA-N 2 1 319.493 3.325 20 70 DGIDMP Oc1ccc(C2=CC[N@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160421260 526343320 /nfs/dbraw/zinc/34/33/20/526343320.db2.gz XBNAJCFGLOLNTI-UHFFFAOYSA-N 2 1 300.446 3.357 20 70 DGIDMP Oc1ccc(C2=CC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160421260 526343326 /nfs/dbraw/zinc/34/33/26/526343326.db2.gz XBNAJCFGLOLNTI-UHFFFAOYSA-N 2 1 300.446 3.357 20 70 DGIDMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000159955727 197375841 /nfs/dbraw/zinc/37/58/41/197375841.db2.gz XHDVYWZMFNJVHZ-LJQANCHMSA-N 2 1 316.489 3.241 20 70 DGIDMP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160315399 432714547 /nfs/dbraw/zinc/71/45/47/432714547.db2.gz INFQBLMJCTWPNE-LJIGWXMPSA-N 2 1 308.441 3.301 20 70 DGIDMP Cc1cc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc(C)n1 ZINC000160512997 432724470 /nfs/dbraw/zinc/72/44/70/432724470.db2.gz GBVGRWXZCQSEPZ-CYBMUJFWSA-N 2 1 302.447 3.038 20 70 DGIDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000161476967 432781798 /nfs/dbraw/zinc/78/17/98/432781798.db2.gz GCQINBYRYCEVBO-QWHCGFSZSA-N 2 1 303.475 3.472 20 70 DGIDMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000160756024 432739154 /nfs/dbraw/zinc/73/91/54/432739154.db2.gz GFSQPEKILLVUBJ-BQFCYCMXSA-N 2 1 310.445 3.038 20 70 DGIDMP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110366 197465900 /nfs/dbraw/zinc/46/59/00/197465900.db2.gz CKMVWEXEFRIQQR-ZNMIVQPWSA-N 2 1 306.450 3.227 20 70 DGIDMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CCCO2 ZINC000161014450 277992354 /nfs/dbraw/zinc/99/23/54/277992354.db2.gz BPWFHSPWWVGRBF-HDMKZQKVSA-N 2 1 318.461 3.371 20 70 DGIDMP c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000160440514 432721660 /nfs/dbraw/zinc/72/16/60/432721660.db2.gz MIYKOBDNLKDRMY-NRFANRHFSA-N 2 1 322.452 3.296 20 70 DGIDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CCN1C ZINC000160519632 432724986 /nfs/dbraw/zinc/72/49/86/432724986.db2.gz NGRDUHNHEUSORH-WMZOPIPTSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519632 432724989 /nfs/dbraw/zinc/72/49/89/432724989.db2.gz NGRDUHNHEUSORH-WMZOPIPTSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519632 432724993 /nfs/dbraw/zinc/72/49/93/432724993.db2.gz NGRDUHNHEUSORH-WMZOPIPTSA-N 2 1 316.493 3.034 20 70 DGIDMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000161110980 432759628 /nfs/dbraw/zinc/75/96/28/432759628.db2.gz ACTMKCZWHOEHRL-NXEWRWPSSA-N 2 1 314.473 3.197 20 70 DGIDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000161477159 432781301 /nfs/dbraw/zinc/78/13/01/432781301.db2.gz GCQINBYRYCEVBO-STQMWFEESA-N 2 1 303.475 3.472 20 70 DGIDMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000160080809 197384369 /nfs/dbraw/zinc/38/43/69/197384369.db2.gz IYOYFRQMDLBMBY-GOSISDBHSA-N 2 1 317.521 3.013 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000159887424 432699918 /nfs/dbraw/zinc/69/99/18/432699918.db2.gz KZXYAIOVSUOPGT-YJBOKZPZSA-N 2 1 317.477 3.245 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000159887424 432699922 /nfs/dbraw/zinc/69/99/22/432699922.db2.gz KZXYAIOVSUOPGT-YJBOKZPZSA-N 2 1 317.477 3.245 20 70 DGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000160454405 432721053 /nfs/dbraw/zinc/72/10/53/432721053.db2.gz VGYRTOMKROVOBQ-OAHLLOKOSA-N 2 1 316.470 3.431 20 70 DGIDMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007337 432754926 /nfs/dbraw/zinc/75/49/26/432754926.db2.gz FHEQIBTWHHOWLY-HKUYNNGSSA-N 3 1 307.526 3.246 20 70 DGIDMP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161016113 432755007 /nfs/dbraw/zinc/75/50/07/432755007.db2.gz AOSOFSNDKUOAHB-ILXRZTDVSA-N 2 1 306.450 3.227 20 70 DGIDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160605120 432730612 /nfs/dbraw/zinc/73/06/12/432730612.db2.gz XPXMJBQRKXZACV-IJEWVQPXSA-N 2 1 321.534 3.273 20 70 DGIDMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000161471578 282204047 /nfs/dbraw/zinc/20/40/47/282204047.db2.gz CGYCYYZODOJBPK-UHFFFAOYSA-N 2 1 312.461 3.102 20 70 DGIDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160393349 432718245 /nfs/dbraw/zinc/71/82/45/432718245.db2.gz KTRGBCFNOBTKEE-UHFFFAOYSA-N 2 1 314.477 3.278 20 70 DGIDMP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000161384438 432776353 /nfs/dbraw/zinc/77/63/53/432776353.db2.gz YMYYQUVJGCLRRN-SJLPKXTDSA-N 2 1 304.478 3.480 20 70 DGIDMP COc1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775084 432741184 /nfs/dbraw/zinc/74/11/84/432741184.db2.gz MLMPKYYJDWYVKN-GOSISDBHSA-N 2 1 302.462 3.361 20 70 DGIDMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCCO2 ZINC000161014771 286429220 /nfs/dbraw/zinc/42/92/20/286429220.db2.gz BPWFHSPWWVGRBF-RVKKMQEKSA-N 2 1 318.461 3.371 20 70 DGIDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073624 432758151 /nfs/dbraw/zinc/75/81/51/432758151.db2.gz UITMCAUYKLKACN-FAXKSRBJSA-N 2 1 324.472 3.266 20 70 DGIDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073624 432758155 /nfs/dbraw/zinc/75/81/55/432758155.db2.gz UITMCAUYKLKACN-FAXKSRBJSA-N 2 1 324.472 3.266 20 70 DGIDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CCN1C ZINC000160519251 432724617 /nfs/dbraw/zinc/72/46/17/432724617.db2.gz NGRDUHNHEUSORH-SJLPKXTDSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519251 432724619 /nfs/dbraw/zinc/72/46/19/432724619.db2.gz NGRDUHNHEUSORH-SJLPKXTDSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519251 432724622 /nfs/dbraw/zinc/72/46/22/432724622.db2.gz NGRDUHNHEUSORH-SJLPKXTDSA-N 2 1 316.493 3.034 20 70 DGIDMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1C ZINC000160680202 432736594 /nfs/dbraw/zinc/73/65/94/432736594.db2.gz ZKLAUURCPLIXAX-ZWKOTPCHSA-N 2 1 304.478 3.191 20 70 DGIDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CCCC1 ZINC000160495492 525537202 /nfs/dbraw/zinc/53/72/02/525537202.db2.gz OZMXXMQYHMOGDI-MRXNPFEDSA-N 2 1 302.462 3.187 20 70 DGIDMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000160442084 432720668 /nfs/dbraw/zinc/72/06/68/432720668.db2.gz GDHTZNMZNNHBGG-LZWOXQAQSA-N 2 1 310.869 3.427 20 70 DGIDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CCN1C ZINC000160519508 432725169 /nfs/dbraw/zinc/72/51/69/432725169.db2.gz NGRDUHNHEUSORH-AEFFLSMTSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@@H+]1C ZINC000160519508 432725176 /nfs/dbraw/zinc/72/51/76/432725176.db2.gz NGRDUHNHEUSORH-AEFFLSMTSA-N 2 1 316.493 3.034 20 70 DGIDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC[N@H+]1C ZINC000160519508 432725178 /nfs/dbraw/zinc/72/51/78/432725178.db2.gz NGRDUHNHEUSORH-AEFFLSMTSA-N 2 1 316.493 3.034 20 70 DGIDMP CC[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000161016458 432754691 /nfs/dbraw/zinc/75/46/91/432754691.db2.gz MXBAVBGALUZSQB-WNRNVDISSA-N 2 1 309.542 3.205 20 70 DGIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000161016458 432754695 /nfs/dbraw/zinc/75/46/95/432754695.db2.gz MXBAVBGALUZSQB-WNRNVDISSA-N 2 1 309.542 3.205 20 70 DGIDMP CC[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000161016458 432754699 /nfs/dbraw/zinc/75/46/99/432754699.db2.gz MXBAVBGALUZSQB-WNRNVDISSA-N 2 1 309.542 3.205 20 70 DGIDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073710 432757471 /nfs/dbraw/zinc/75/74/71/432757471.db2.gz UITMCAUYKLKACN-MIJOPJBOSA-N 2 1 324.472 3.266 20 70 DGIDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cnn(C)c1 ZINC000161073710 432757474 /nfs/dbraw/zinc/75/74/74/432757474.db2.gz UITMCAUYKLKACN-MIJOPJBOSA-N 2 1 324.472 3.266 20 70 DGIDMP C[C@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160732156 432738638 /nfs/dbraw/zinc/73/86/38/432738638.db2.gz CSZLTQOECSDVLO-SQGPQFPESA-N 2 1 316.489 3.452 20 70 DGIDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C1CC1 ZINC000160362509 522884319 /nfs/dbraw/zinc/88/43/19/522884319.db2.gz VMPJNBVZVSWFBV-HXUWFJFHSA-N 2 1 315.505 3.102 20 70 DGIDMP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161439788 283935742 /nfs/dbraw/zinc/93/57/42/283935742.db2.gz UNUUZIWSYYEIOE-FUHWJXTLSA-N 2 1 318.461 3.002 20 70 DGIDMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000160080947 197384297 /nfs/dbraw/zinc/38/42/97/197384297.db2.gz IYOYFRQMDLBMBY-SFHVURJKSA-N 2 1 317.521 3.013 20 70 DGIDMP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106986 287067962 /nfs/dbraw/zinc/06/79/62/287067962.db2.gz HQAJJISYTXWBFD-KBMXLJTQSA-N 2 1 307.457 3.415 20 70 DGIDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394465 432776794 /nfs/dbraw/zinc/77/67/94/432776794.db2.gz NYWIWKUFRRBUJD-SFHVURJKSA-N 2 1 302.462 3.152 20 70 DGIDMP CCc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000160759411 432738755 /nfs/dbraw/zinc/73/87/55/432738755.db2.gz LEEABUZFPBNTOC-HUUCEWRRSA-N 2 1 310.507 3.198 20 70 DGIDMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000160769971 432740137 /nfs/dbraw/zinc/74/01/37/432740137.db2.gz OQKOCYSGMHHCIN-UWVAXJGDSA-N 2 1 316.489 3.302 20 70 DGIDMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CCOCC1 ZINC000160769971 432740144 /nfs/dbraw/zinc/74/01/44/432740144.db2.gz OQKOCYSGMHHCIN-UWVAXJGDSA-N 2 1 316.489 3.302 20 70 DGIDMP C[NH+](C)CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160306315 197399414 /nfs/dbraw/zinc/39/94/14/197399414.db2.gz DPSCLIMTPZGODB-UHFFFAOYSA-N 2 1 322.250 3.039 20 70 DGIDMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000160492014 432722631 /nfs/dbraw/zinc/72/26/31/432722631.db2.gz MTPFCDVLFOXNSO-TZMCWYRMSA-N 2 1 316.367 3.157 20 70 DGIDMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161015833 432754023 /nfs/dbraw/zinc/75/40/23/432754023.db2.gz AOSOFSNDKUOAHB-ZNMIVQPWSA-N 2 1 306.450 3.227 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014198 432754838 /nfs/dbraw/zinc/75/48/38/432754838.db2.gz RYMYORVAPYQTSR-URLQWDBASA-N 2 1 318.461 3.227 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014198 432754840 /nfs/dbraw/zinc/75/48/40/432754840.db2.gz RYMYORVAPYQTSR-URLQWDBASA-N 2 1 318.461 3.227 20 70 DGIDMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159570560 186127930 /nfs/dbraw/zinc/12/79/30/186127930.db2.gz NUMBSBIHYUSZNZ-GOSISDBHSA-N 2 1 322.493 3.318 20 70 DGIDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161359020 296313274 /nfs/dbraw/zinc/31/32/74/296313274.db2.gz HELOVJHAEVVQEH-WOJBJXKFSA-N 2 1 321.553 3.449 20 70 DGIDMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000160441852 432720650 /nfs/dbraw/zinc/72/06/50/432720650.db2.gz GDHTZNMZNNHBGG-SQWLQELKSA-N 2 1 310.869 3.427 20 70 DGIDMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000160492143 432722789 /nfs/dbraw/zinc/72/27/89/432722789.db2.gz MTPFCDVLFOXNSO-GXTWGEPZSA-N 2 1 316.367 3.157 20 70 DGIDMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000160492271 432722839 /nfs/dbraw/zinc/72/28/39/432722839.db2.gz MTPFCDVLFOXNSO-OCCSQVGLSA-N 2 1 316.367 3.157 20 70 DGIDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158585 432764028 /nfs/dbraw/zinc/76/40/28/432764028.db2.gz AMCALJDKFJBCKM-DOMZBBRYSA-N 2 1 316.367 3.058 20 70 DGIDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000160670182 432733427 /nfs/dbraw/zinc/73/34/27/432733427.db2.gz KQHMMTKOCAZZJH-PKOBYXMFSA-N 2 1 318.505 3.179 20 70 DGIDMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217514500 165377820 /nfs/dbraw/zinc/37/78/20/165377820.db2.gz LGPPERULEVNBRP-NEPJUHHUSA-N 2 1 302.340 3.317 20 70 DGIDMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160662295 276286847 /nfs/dbraw/zinc/28/68/47/276286847.db2.gz IIDICVIIBSAZPW-MOPGFXCFSA-N 2 1 304.478 3.354 20 70 DGIDMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000160999734 432752494 /nfs/dbraw/zinc/75/24/94/432752494.db2.gz RYUMUGKWZBCPRC-KKXDTOCCSA-N 2 1 303.450 3.168 20 70 DGIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1N(C)C ZINC000161106598 432759064 /nfs/dbraw/zinc/75/90/64/432759064.db2.gz HQAJJISYTXWBFD-IMJJTQAJSA-N 2 1 307.457 3.415 20 70 DGIDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000160383142 521994715 /nfs/dbraw/zinc/99/47/15/521994715.db2.gz HWQRRDUXIOJOSG-UHFFFAOYSA-N 2 1 322.250 3.039 20 70 DGIDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C1CC1 ZINC000160362381 522655166 /nfs/dbraw/zinc/65/51/66/522655166.db2.gz VMPJNBVZVSWFBV-FQEVSTJZSA-N 2 1 315.505 3.102 20 70 DGIDMP Cc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000160765079 432740976 /nfs/dbraw/zinc/74/09/76/432740976.db2.gz ALAYCCISNUGJEZ-SJLPKXTDSA-N 2 1 322.468 3.330 20 70 DGIDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccs1 ZINC000160454279 432721412 /nfs/dbraw/zinc/72/14/12/432721412.db2.gz VGYRTOMKROVOBQ-HNNXBMFYSA-N 2 1 316.470 3.431 20 70 DGIDMP Cc1cc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc(C)n1 ZINC000160512909 432725557 /nfs/dbraw/zinc/72/55/57/432725557.db2.gz GBVGRWXZCQSEPZ-ZDUSSCGKSA-N 2 1 302.447 3.038 20 70 DGIDMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007468 432754043 /nfs/dbraw/zinc/75/40/43/432754043.db2.gz FHEQIBTWHHOWLY-IEBWSBKVSA-N 3 1 307.526 3.246 20 70 DGIDMP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c(OC)c1 ZINC000161110609 432759727 /nfs/dbraw/zinc/75/97/27/432759727.db2.gz CKMVWEXEFRIQQR-KKUMJFAQSA-N 2 1 306.450 3.227 20 70 DGIDMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000161111105 432760369 /nfs/dbraw/zinc/76/03/69/432760369.db2.gz ACTMKCZWHOEHRL-RAFMOHDBSA-N 2 1 314.473 3.197 20 70 DGIDMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161159960 432763237 /nfs/dbraw/zinc/76/32/37/432763237.db2.gz MOINAWHWOQLIQO-LJQANCHMSA-N 2 1 307.526 3.248 20 70 DGIDMP c1ccc(COC[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279131 432769118 /nfs/dbraw/zinc/76/91/18/432769118.db2.gz JWMSLIYLGMZTFQ-FQEVSTJZSA-N 2 1 316.489 3.401 20 70 DGIDMP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298554 432771475 /nfs/dbraw/zinc/77/14/75/432771475.db2.gz VUFQKHVZLZYQLO-VXIBKDFQSA-N 2 1 304.478 3.158 20 70 DGIDMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161477033 432781710 /nfs/dbraw/zinc/78/17/10/432781710.db2.gz GCQINBYRYCEVBO-OLZOCXBDSA-N 2 1 303.475 3.472 20 70 DGIDMP COc1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775212 432741398 /nfs/dbraw/zinc/74/13/98/432741398.db2.gz MLMPKYYJDWYVKN-SFHVURJKSA-N 2 1 302.462 3.361 20 70 DGIDMP CCOCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000160363866 521706230 /nfs/dbraw/zinc/70/62/30/521706230.db2.gz ABSHAWWFAIELES-UHFFFAOYSA-N 2 1 304.478 3.257 20 70 DGIDMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025511 546065008 /nfs/dbraw/zinc/06/50/08/546065008.db2.gz KKQDZKSKRJCPGU-IRXDYDNUSA-N 3 1 309.542 3.207 20 70 DGIDMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025511 546065013 /nfs/dbraw/zinc/06/50/13/546065013.db2.gz KKQDZKSKRJCPGU-IRXDYDNUSA-N 3 1 309.542 3.207 20 70 DGIDMP Cc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1Br ZINC000218095159 432658151 /nfs/dbraw/zinc/65/81/51/432658151.db2.gz HYQVBHUYGMMPRB-HOTGVXAUSA-N 2 1 323.278 3.474 20 70 DGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218095159 432658154 /nfs/dbraw/zinc/65/81/54/432658154.db2.gz HYQVBHUYGMMPRB-HOTGVXAUSA-N 2 1 323.278 3.474 20 70 DGIDMP Cc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Br ZINC000218095159 432658157 /nfs/dbraw/zinc/65/81/57/432658157.db2.gz HYQVBHUYGMMPRB-HOTGVXAUSA-N 2 1 323.278 3.474 20 70 DGIDMP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160687451 432735675 /nfs/dbraw/zinc/73/56/75/432735675.db2.gz IGYIMPKHHCTXCY-QZTJIDSGSA-N 2 1 304.478 3.191 20 70 DGIDMP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000160758130 432738292 /nfs/dbraw/zinc/73/82/92/432738292.db2.gz VKKZERZGHLOOCA-RBUKOAKNSA-N 2 1 318.505 3.499 20 70 DGIDMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160732003 432738381 /nfs/dbraw/zinc/73/83/81/432738381.db2.gz CSZLTQOECSDVLO-MBOZVWFJSA-N 2 1 316.489 3.452 20 70 DGIDMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000160742140 432739626 /nfs/dbraw/zinc/73/96/26/432739626.db2.gz LDZUPKYTHORDKE-QZTJIDSGSA-N 2 1 308.441 3.103 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCC)CC2)c1 ZINC000159868000 546055912 /nfs/dbraw/zinc/05/59/12/546055912.db2.gz ZXHNYTSUQRCRHS-UHFFFAOYSA-N 2 1 317.477 3.389 20 70 DGIDMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159570693 186127542 /nfs/dbraw/zinc/12/75/42/186127542.db2.gz NUMBSBIHYUSZNZ-SFHVURJKSA-N 2 1 322.493 3.318 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159896969 432701355 /nfs/dbraw/zinc/70/13/55/432701355.db2.gz MAZRCPZCSYBTFA-HDMKZQKVSA-N 2 1 317.477 3.244 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159896969 432701356 /nfs/dbraw/zinc/70/13/56/432701356.db2.gz MAZRCPZCSYBTFA-HDMKZQKVSA-N 2 1 317.477 3.244 20 70 DGIDMP CC[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312013 432713330 /nfs/dbraw/zinc/71/33/30/432713330.db2.gz SSEBCCJGELLYDY-YQQAZPJKSA-N 2 1 308.441 3.303 20 70 DGIDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160553465 432728268 /nfs/dbraw/zinc/72/82/68/432728268.db2.gz HNBPBKDPFTWHPS-YJLNNSPDSA-N 2 1 313.445 3.382 20 70 DGIDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000160553361 432729243 /nfs/dbraw/zinc/72/92/43/432729243.db2.gz HNBPBKDPFTWHPS-BJZITVGISA-N 2 1 313.445 3.382 20 70 DGIDMP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000160687588 432736150 /nfs/dbraw/zinc/73/61/50/432736150.db2.gz IGYIMPKHHCTXCY-ZWKOTPCHSA-N 2 1 304.478 3.191 20 70 DGIDMP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273421 197396832 /nfs/dbraw/zinc/39/68/32/197396832.db2.gz VQUBQCWXXNMSRX-ZMPRRUGASA-N 2 1 322.518 3.339 20 70 DGIDMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000160273421 197396834 /nfs/dbraw/zinc/39/68/34/197396834.db2.gz VQUBQCWXXNMSRX-ZMPRRUGASA-N 2 1 322.518 3.339 20 70 DGIDMP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000161015941 432755257 /nfs/dbraw/zinc/75/52/57/432755257.db2.gz AOSOFSNDKUOAHB-KFWWJZLASA-N 2 1 306.450 3.227 20 70 DGIDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000160745134 285290457 /nfs/dbraw/zinc/29/04/57/285290457.db2.gz KSXBQANKALVIMM-SJLPKXTDSA-N 2 1 322.880 3.154 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000159896695 432702016 /nfs/dbraw/zinc/70/20/16/432702016.db2.gz MAZRCPZCSYBTFA-RLFYNMQTSA-N 2 1 317.477 3.244 20 70 DGIDMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159896695 432702020 /nfs/dbraw/zinc/70/20/20/432702020.db2.gz MAZRCPZCSYBTFA-RLFYNMQTSA-N 2 1 317.477 3.244 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014006 432754288 /nfs/dbraw/zinc/75/42/88/432754288.db2.gz RYMYORVAPYQTSR-ZSZQSSIHSA-N 2 1 318.461 3.227 20 70 DGIDMP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161014006 432754293 /nfs/dbraw/zinc/75/42/93/432754293.db2.gz RYMYORVAPYQTSR-ZSZQSSIHSA-N 2 1 318.461 3.227 20 70 DGIDMP