smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1cc(Cl)cc(C[N@H+](C2CCCC2)[C@H]2CC[NH2+]C2)c1 ZINC000090484004 185298565 /nfs/dbraw/zinc/29/85/65/185298565.db2.gz BGVMWZSBQVIESR-INIZCTEOSA-N 2 2 313.272 4.100 10 0 DIAELP Clc1cc(Cl)cc(C[N@@H+](C2CCCC2)[C@H]2CC[NH2+]C2)c1 ZINC000090484004 185298566 /nfs/dbraw/zinc/29/85/66/185298566.db2.gz BGVMWZSBQVIESR-INIZCTEOSA-N 2 2 313.272 4.100 10 0 DIAELP CCc1ccc([C@@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225714 182198875 /nfs/dbraw/zinc/19/88/75/182198875.db2.gz BPCYHEWQENTNCQ-GOSISDBHSA-N 2 2 302.849 4.034 10 0 DIAELP CCc1ccc([C@@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225714 182198876 /nfs/dbraw/zinc/19/88/76/182198876.db2.gz BPCYHEWQENTNCQ-GOSISDBHSA-N 2 2 302.849 4.034 10 0 DIAELP [NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCCC1 ZINC000039795089 183022310 /nfs/dbraw/zinc/02/23/10/183022310.db2.gz RUOLVZCDVLNEST-NRFANRHFSA-N 2 2 324.468 4.141 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042580512 183285926 /nfs/dbraw/zinc/28/59/26/183285926.db2.gz LFUTWFBNEMERGN-CQSZACIVSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042580512 183285927 /nfs/dbraw/zinc/28/59/27/183285927.db2.gz LFUTWFBNEMERGN-CQSZACIVSA-N 2 2 301.261 4.114 10 0 DIAELP C[C@H]([NH2+][C@@H](C)C1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187262672 337264605 /nfs/dbraw/zinc/26/46/05/337264605.db2.gz LKVQBKPXTSKMKP-GJZGRUSLSA-N 2 2 315.486 4.055 10 0 DIAELP Cc1cccc(N2CCC[C@@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)[nH+]1 ZINC000157563050 524541284 /nfs/dbraw/zinc/54/12/84/524541284.db2.gz FLFGWYQQUBXHEH-QGZVFWFLSA-N 2 2 318.424 4.164 10 0 DIAELP C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192793448 1044311333 /nfs/dbraw/zinc/31/13/33/1044311333.db2.gz CIBGTUZIIBGQLD-DNVCBOLYSA-N 2 2 319.408 4.047 10 0 DIAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579239 183286006 /nfs/dbraw/zinc/28/60/06/183286006.db2.gz VEBNFRRMFGTEKD-OAHLLOKOSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579239 183286007 /nfs/dbraw/zinc/28/60/07/183286007.db2.gz VEBNFRRMFGTEKD-OAHLLOKOSA-N 2 2 303.277 4.360 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312486 337163866 /nfs/dbraw/zinc/16/38/66/337163866.db2.gz QQSGFXCVRJQZDU-CQSZACIVSA-N 2 2 324.255 4.163 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312486 337163867 /nfs/dbraw/zinc/16/38/67/337163867.db2.gz QQSGFXCVRJQZDU-CQSZACIVSA-N 2 2 324.255 4.163 10 0 DIAELP C[C@@H]([NH2+][C@H](C)C1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187262731 337264582 /nfs/dbraw/zinc/26/45/82/337264582.db2.gz LKVQBKPXTSKMKP-HUUCEWRRSA-N 2 2 315.486 4.055 10 0 DIAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000192028755 337301981 /nfs/dbraw/zinc/30/19/81/337301981.db2.gz YOIGBGGWYNXBRH-SFHVURJKSA-N 2 2 307.397 4.111 10 0 DIAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000192028755 337301982 /nfs/dbraw/zinc/30/19/82/337301982.db2.gz YOIGBGGWYNXBRH-SFHVURJKSA-N 2 2 307.397 4.111 10 0 DIAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000192028747 337302072 /nfs/dbraw/zinc/30/20/72/337302072.db2.gz YOIGBGGWYNXBRH-GOSISDBHSA-N 2 2 307.397 4.111 10 0 DIAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000192028747 337302073 /nfs/dbraw/zinc/30/20/73/337302073.db2.gz YOIGBGGWYNXBRH-GOSISDBHSA-N 2 2 307.397 4.111 10 0 DIAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251030 340379662 /nfs/dbraw/zinc/37/96/62/340379662.db2.gz LQTBCTJZHHCTLD-YLJYHZDGSA-N 2 2 324.468 4.010 10 0 DIAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251030 340379663 /nfs/dbraw/zinc/37/96/63/340379663.db2.gz LQTBCTJZHHCTLD-YLJYHZDGSA-N 2 2 324.468 4.010 10 0 DIAELP CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005139 341359736 /nfs/dbraw/zinc/35/97/36/341359736.db2.gz KZEBLQHBEWONRP-YJBOKZPZSA-N 2 2 319.399 4.085 10 0 DIAELP CC[C@@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005139 341359737 /nfs/dbraw/zinc/35/97/37/341359737.db2.gz KZEBLQHBEWONRP-YJBOKZPZSA-N 2 2 319.399 4.085 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000106217678 522597927 /nfs/dbraw/zinc/59/79/27/522597927.db2.gz JBEOHSHWKRNIPG-ZDUSSCGKSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000106217678 522597939 /nfs/dbraw/zinc/59/79/39/522597939.db2.gz JBEOHSHWKRNIPG-ZDUSSCGKSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212208 522598838 /nfs/dbraw/zinc/59/88/38/522598838.db2.gz FTNFZCFUKNTNJD-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212208 522598845 /nfs/dbraw/zinc/59/88/45/522598845.db2.gz FTNFZCFUKNTNJD-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP CC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OC ZINC000152261925 1038599490 /nfs/dbraw/zinc/59/94/90/1038599490.db2.gz SUEGDVYXFVWROM-SFHVURJKSA-N 2 2 321.424 4.122 10 0 DIAELP Cc1c(Cn2cc[nH+]c2-c2cccc(F)c2)[nH+]c2ccc(C)cn12 ZINC000142678111 186032447 /nfs/dbraw/zinc/03/24/47/186032447.db2.gz VZYPHTOYDKGBNG-UHFFFAOYSA-N 2 2 320.371 4.002 10 0 DIAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555938 183284625 /nfs/dbraw/zinc/28/46/25/183284625.db2.gz KLBQMGUWUKJBCD-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555938 183284628 /nfs/dbraw/zinc/28/46/28/183284628.db2.gz KLBQMGUWUKJBCD-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042563439 183285038 /nfs/dbraw/zinc/28/50/38/183285038.db2.gz SXWZVVUBMUBGJW-NHYWBVRUSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042563439 183285040 /nfs/dbraw/zinc/28/50/40/183285040.db2.gz SXWZVVUBMUBGJW-NHYWBVRUSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042580347 183286948 /nfs/dbraw/zinc/28/69/48/183286948.db2.gz IVFMEQOCXLOCRD-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042580347 183286951 /nfs/dbraw/zinc/28/69/51/183286951.db2.gz IVFMEQOCXLOCRD-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188965154 333059372 /nfs/dbraw/zinc/05/93/72/333059372.db2.gz BNTNPJNVDCBFKP-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188965154 333059373 /nfs/dbraw/zinc/05/93/73/333059373.db2.gz BNTNPJNVDCBFKP-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000106216860 522598796 /nfs/dbraw/zinc/59/87/96/522598796.db2.gz SWKRZDJUGMDCAZ-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000106216860 522598807 /nfs/dbraw/zinc/59/88/07/522598807.db2.gz SWKRZDJUGMDCAZ-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP C[N@H+]([C@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021032313 182262425 /nfs/dbraw/zinc/26/24/25/182262425.db2.gz BRCXGTXQWNUHBZ-OAHLLOKOSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021032313 182262427 /nfs/dbraw/zinc/26/24/27/182262427.db2.gz BRCXGTXQWNUHBZ-OAHLLOKOSA-N 2 2 301.261 4.258 10 0 DIAELP C[C@H]([N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741660 183303368 /nfs/dbraw/zinc/30/33/68/183303368.db2.gz MAKXUTAAZXRELC-HZMBPMFUSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@H]([N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741660 183303372 /nfs/dbraw/zinc/30/33/72/183303372.db2.gz MAKXUTAAZXRELC-HZMBPMFUSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742312 183304639 /nfs/dbraw/zinc/30/46/39/183304639.db2.gz MUBSGNLRZARTTB-HZMBPMFUSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742312 183304642 /nfs/dbraw/zinc/30/46/42/183304642.db2.gz MUBSGNLRZARTTB-HZMBPMFUSA-N 2 2 303.277 4.360 10 0 DIAELP c1cc2[nH+]ccc(N3CCC[C@@H]([NH+]4CCCCCC4)C3)c2s1 ZINC000302000311 336342325 /nfs/dbraw/zinc/34/23/25/336342325.db2.gz VTHPMPAKQZQCTE-OAHLLOKOSA-N 2 2 315.486 4.141 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000122860111 337027198 /nfs/dbraw/zinc/02/71/98/337027198.db2.gz AKAONTIBSDASSR-MRXNPFEDSA-N 2 2 309.413 4.029 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000122860111 337027199 /nfs/dbraw/zinc/02/71/99/337027199.db2.gz AKAONTIBSDASSR-MRXNPFEDSA-N 2 2 309.413 4.029 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000122919846 337030438 /nfs/dbraw/zinc/03/04/38/337030438.db2.gz BDSXZASAIZSPKQ-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000122919846 337030439 /nfs/dbraw/zinc/03/04/39/337030439.db2.gz BDSXZASAIZSPKQ-HNNXBMFYSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521506 337087808 /nfs/dbraw/zinc/08/78/08/337087808.db2.gz XMJIWGYUSSDGFS-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521506 337087809 /nfs/dbraw/zinc/08/78/09/337087809.db2.gz XMJIWGYUSSDGFS-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP CC[NH+](CC)CCC[C@@H](C)[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000584615854 337372910 /nfs/dbraw/zinc/37/29/10/337372910.db2.gz LZZPOQPRCLAOMG-OAHLLOKOSA-N 2 2 304.478 4.323 10 0 DIAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251027 340379653 /nfs/dbraw/zinc/37/96/53/340379653.db2.gz LQTBCTJZHHCTLD-FXAWDEMLSA-N 2 2 324.468 4.010 10 0 DIAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251027 340379654 /nfs/dbraw/zinc/37/96/54/340379654.db2.gz LQTBCTJZHHCTLD-FXAWDEMLSA-N 2 2 324.468 4.010 10 0 DIAELP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000020012546 182178054 /nfs/dbraw/zinc/17/80/54/182178054.db2.gz IIXFFDKYQHBKPF-ZDUSSCGKSA-N 2 2 315.288 4.348 10 0 DIAELP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000020012546 182178056 /nfs/dbraw/zinc/17/80/56/182178056.db2.gz IIXFFDKYQHBKPF-ZDUSSCGKSA-N 2 2 315.288 4.348 10 0 DIAELP CCc1ccc([C@H](C[NH3+])[N@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225715 182198836 /nfs/dbraw/zinc/19/88/36/182198836.db2.gz BPCYHEWQENTNCQ-SFHVURJKSA-N 2 2 302.849 4.034 10 0 DIAELP CCc1ccc([C@H](C[NH3+])[N@@H+](C)Cc2ccc(Cl)cc2)cc1 ZINC000020225715 182198838 /nfs/dbraw/zinc/19/88/38/182198838.db2.gz BPCYHEWQENTNCQ-SFHVURJKSA-N 2 2 302.849 4.034 10 0 DIAELP [NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCCC1 ZINC000039795087 183022586 /nfs/dbraw/zinc/02/25/86/183022586.db2.gz RUOLVZCDVLNEST-OAQYLSRUSA-N 2 2 324.468 4.141 10 0 DIAELP CC[NH+](CC)CCCn1c2cc(Cl)ccc2[nH+]c1C1CC1 ZINC000040403730 183061359 /nfs/dbraw/zinc/06/13/59/183061359.db2.gz NCCBMLJZCIJFOO-UHFFFAOYSA-N 2 2 305.853 4.299 10 0 DIAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555461 183283831 /nfs/dbraw/zinc/28/38/31/183283831.db2.gz RAVRDTOJQWOWEE-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555461 183283834 /nfs/dbraw/zinc/28/38/34/183283834.db2.gz RAVRDTOJQWOWEE-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580101 183286986 /nfs/dbraw/zinc/28/69/86/183286986.db2.gz XLCKJAAFARBXDF-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580101 183286988 /nfs/dbraw/zinc/28/69/88/183286988.db2.gz XLCKJAAFARBXDF-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741663 183303670 /nfs/dbraw/zinc/30/36/70/183303670.db2.gz MAKXUTAAZXRELC-YGRLFVJLSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C(C)(C)C ZINC000042741663 183303672 /nfs/dbraw/zinc/30/36/72/183303672.db2.gz MAKXUTAAZXRELC-YGRLFVJLSA-N 2 2 303.277 4.360 10 0 DIAELP c1cc2[nH+]ccc(N3CCC[C@H]([NH+]4CCCCCC4)C3)c2s1 ZINC000302000310 336342311 /nfs/dbraw/zinc/34/23/11/336342311.db2.gz VTHPMPAKQZQCTE-HNNXBMFYSA-N 2 2 315.486 4.141 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521501 337087689 /nfs/dbraw/zinc/08/76/89/337087689.db2.gz XMJIWGYUSSDGFS-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC000171521501 337087690 /nfs/dbraw/zinc/08/76/90/337087690.db2.gz XMJIWGYUSSDGFS-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312472 337163761 /nfs/dbraw/zinc/16/37/61/337163761.db2.gz QQSGFXCVRJQZDU-AWEZNQCLSA-N 2 2 324.255 4.163 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(Cl)c1 ZINC000178312472 337163762 /nfs/dbraw/zinc/16/37/62/337163762.db2.gz QQSGFXCVRJQZDU-AWEZNQCLSA-N 2 2 324.255 4.163 10 0 DIAELP c1cn(Cc2cc(Cn3cc[nH+]c3)cc(C3CCCCC3)c2)c[nH+]1 ZINC000584654151 337377680 /nfs/dbraw/zinc/37/76/80/337377680.db2.gz QCXKGMVUBXHZBN-UHFFFAOYSA-N 2 2 320.440 4.224 10 0 DIAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525147 341352522 /nfs/dbraw/zinc/35/25/22/341352522.db2.gz UYQWXQMUJZKBRH-XGHQBKJUSA-N 2 2 323.484 4.128 10 0 DIAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525147 341352523 /nfs/dbraw/zinc/35/25/23/341352523.db2.gz UYQWXQMUJZKBRH-XGHQBKJUSA-N 2 2 323.484 4.128 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000106216857 522596258 /nfs/dbraw/zinc/59/62/58/522596258.db2.gz SWKRZDJUGMDCAZ-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000106216857 522596267 /nfs/dbraw/zinc/59/62/67/522596267.db2.gz SWKRZDJUGMDCAZ-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192793430 1044311106 /nfs/dbraw/zinc/31/11/06/1044311106.db2.gz CIBGTUZIIBGQLD-HNAYVOBHSA-N 2 2 319.408 4.047 10 0 DIAELP CC(C)C[N@H+]([C@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555464 183284125 /nfs/dbraw/zinc/28/41/25/183284125.db2.gz RAVRDTOJQWOWEE-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1cc(Cl)cc(Cl)c1)C1CC1 ZINC000042555464 183284128 /nfs/dbraw/zinc/28/41/28/183284128.db2.gz RAVRDTOJQWOWEE-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742315 183304280 /nfs/dbraw/zinc/30/42/80/183304280.db2.gz MUBSGNLRZARTTB-YGRLFVJLSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C(C)(C)C ZINC000042742315 183304283 /nfs/dbraw/zinc/30/42/83/183304283.db2.gz MUBSGNLRZARTTB-YGRLFVJLSA-N 2 2 303.277 4.360 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000178312328 337163872 /nfs/dbraw/zinc/16/38/72/337163872.db2.gz SDHMPAVRYGOXAR-FQEVSTJZSA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000178312328 337163873 /nfs/dbraw/zinc/16/38/73/337163873.db2.gz SDHMPAVRYGOXAR-FQEVSTJZSA-N 2 2 305.425 4.009 10 0 DIAELP CCCC[C@](C=C=C(C)C)(CC)C[NH2+]CCC[NH+]1CCOCC1 ZINC000584636047 337377411 /nfs/dbraw/zinc/37/74/11/337377411.db2.gz SZQBMMNAUNGFDD-FQEVSTJZSA-N 2 2 322.537 4.006 10 0 DIAELP C[C@@H]([NH2+]Cc1cc(Cl)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193131787 340572871 /nfs/dbraw/zinc/57/28/71/340572871.db2.gz DKJAVKOXAGMJKN-GFCCVEGCSA-N 2 2 317.845 4.438 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871599 341370815 /nfs/dbraw/zinc/37/08/15/341370815.db2.gz XQNDFJULLPAQSD-IEBWSBKVSA-N 2 2 311.473 4.104 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871599 341370816 /nfs/dbraw/zinc/37/08/16/341370816.db2.gz XQNDFJULLPAQSD-IEBWSBKVSA-N 2 2 311.473 4.104 10 0 DIAELP C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192793478 1044310898 /nfs/dbraw/zinc/31/08/98/1044310898.db2.gz CIBGTUZIIBGQLD-BEFAXECRSA-N 2 2 319.408 4.047 10 0 DIAELP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773983 1053769663 /nfs/dbraw/zinc/76/96/63/1053769663.db2.gz MUSNMWADQZDBRX-AVGNSLFASA-N 2 2 313.272 4.271 10 0 DIAELP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773983 1053769669 /nfs/dbraw/zinc/76/96/69/1053769669.db2.gz MUSNMWADQZDBRX-AVGNSLFASA-N 2 2 313.272 4.271 10 0 DIAELP CC1=C([NH2+]N(C)c2ccc(Cl)cc2)C[N@H+](C2CCCCC2)C1 ZINC000032104906 563698092 /nfs/dbraw/zinc/69/80/92/563698092.db2.gz LTYULHHHUHISEJ-UHFFFAOYSA-N 2 2 319.880 4.203 10 0 DIAELP CC1=C([NH2+]N(C)c2ccc(Cl)cc2)C[N@@H+](C2CCCCC2)C1 ZINC000032104906 563698097 /nfs/dbraw/zinc/69/80/97/563698097.db2.gz LTYULHHHUHISEJ-UHFFFAOYSA-N 2 2 319.880 4.203 10 0 DIAELP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000120889731 1045496704 /nfs/dbraw/zinc/49/67/04/1045496704.db2.gz QOUHYJCIOMBMSE-YYWHXJBOSA-N 2 2 323.484 4.033 10 0 DIAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000120889731 1045496706 /nfs/dbraw/zinc/49/67/06/1045496706.db2.gz QOUHYJCIOMBMSE-YYWHXJBOSA-N 2 2 323.484 4.033 10 0 DIAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2[C@H](C)CCC[C@H]2C)CC1 ZINC000246325141 1046770844 /nfs/dbraw/zinc/77/08/44/1046770844.db2.gz FRPMVGZWRDPKOR-BRWVUGGUSA-N 2 2 315.505 4.021 10 0 DIAELP Cc1cc2[nH]c(CCc3[nH]c4cc(C)c(C)cc4[nH+]3)[nH+]c2cc1C ZINC000090376948 185293306 /nfs/dbraw/zinc/29/33/06/185293306.db2.gz CXCRHKFWUARMIU-UHFFFAOYSA-N 2 2 318.424 4.458 10 0 DIAELP [NH3+]C[C@@H](c1ccc(SC(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000019231455 182109542 /nfs/dbraw/zinc/10/95/42/182109542.db2.gz CSOBBNLUIJYMDP-AWEZNQCLSA-N 2 2 318.408 4.174 10 0 DIAELP CC(C)C[N@H+]([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555941 183284597 /nfs/dbraw/zinc/28/45/97/183284597.db2.gz KLBQMGUWUKJBCD-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000042555941 183284601 /nfs/dbraw/zinc/28/46/01/183284601.db2.gz KLBQMGUWUKJBCD-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000178312958 337163802 /nfs/dbraw/zinc/16/38/02/337163802.db2.gz QGGFEFMJNZFOLL-IBGZPJMESA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000178312958 337163803 /nfs/dbraw/zinc/16/38/03/337163803.db2.gz QGGFEFMJNZFOLL-IBGZPJMESA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323825 337164021 /nfs/dbraw/zinc/16/40/21/337164021.db2.gz LIWPSDIXXSEABO-SUMWQHHRSA-N 2 2 303.837 4.071 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323825 337164022 /nfs/dbraw/zinc/16/40/22/337164022.db2.gz LIWPSDIXXSEABO-SUMWQHHRSA-N 2 2 303.837 4.071 10 0 DIAELP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246409998 337547155 /nfs/dbraw/zinc/54/71/55/337547155.db2.gz MJDKKHYOYHBSBK-SQGPQFPESA-N 2 2 317.521 4.411 10 0 DIAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251029 340379717 /nfs/dbraw/zinc/37/97/17/340379717.db2.gz LQTBCTJZHHCTLD-XLIONFOSSA-N 2 2 324.468 4.010 10 0 DIAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251029 340379718 /nfs/dbraw/zinc/37/97/18/340379718.db2.gz LQTBCTJZHHCTLD-XLIONFOSSA-N 2 2 324.468 4.010 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1ccccc1Cl ZINC000247030346 341360213 /nfs/dbraw/zinc/36/02/13/341360213.db2.gz MHQJIAFGWRNWGN-UKRRQHHQSA-N 2 2 303.837 4.071 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl ZINC000247030346 341360214 /nfs/dbraw/zinc/36/02/14/341360214.db2.gz MHQJIAFGWRNWGN-UKRRQHHQSA-N 2 2 303.837 4.071 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000106217761 522592907 /nfs/dbraw/zinc/59/29/07/522592907.db2.gz MFGXRPVGJZMJPW-UONOGXRCSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000106217761 522592915 /nfs/dbraw/zinc/59/29/15/522592915.db2.gz MFGXRPVGJZMJPW-UONOGXRCSA-N 2 2 319.399 4.122 10 0 DIAELP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000020012543 182177972 /nfs/dbraw/zinc/17/79/72/182177972.db2.gz IIXFFDKYQHBKPF-CYBMUJFWSA-N 2 2 315.288 4.348 10 0 DIAELP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc(Cl)cc1Cl ZINC000020012543 182177975 /nfs/dbraw/zinc/17/79/75/182177975.db2.gz IIXFFDKYQHBKPF-CYBMUJFWSA-N 2 2 315.288 4.348 10 0 DIAELP C[N@H+]([C@@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021038276 182262724 /nfs/dbraw/zinc/26/27/24/182262724.db2.gz UIIYOVBVDDMQLD-AWEZNQCLSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021038276 182262727 /nfs/dbraw/zinc/26/27/27/182262727.db2.gz UIIYOVBVDDMQLD-AWEZNQCLSA-N 2 2 301.261 4.258 10 0 DIAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042563438 183285104 /nfs/dbraw/zinc/28/51/04/183285104.db2.gz SXWZVVUBMUBGJW-ABAIWWIYSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042563438 183285106 /nfs/dbraw/zinc/28/51/06/183285106.db2.gz SXWZVVUBMUBGJW-ABAIWWIYSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580214 183285908 /nfs/dbraw/zinc/28/59/08/183285908.db2.gz HCEGWOFJALAJRF-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580214 183285910 /nfs/dbraw/zinc/28/59/10/183285910.db2.gz HCEGWOFJALAJRF-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042580510 183286169 /nfs/dbraw/zinc/28/61/69/183286169.db2.gz LFUTWFBNEMERGN-AWEZNQCLSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042580510 183286171 /nfs/dbraw/zinc/28/61/71/183286171.db2.gz LFUTWFBNEMERGN-AWEZNQCLSA-N 2 2 301.261 4.114 10 0 DIAELP C[C@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673187 332602321 /nfs/dbraw/zinc/60/23/21/332602321.db2.gz MERJSTKISBFWTR-YWZLYKJASA-N 2 2 303.409 4.210 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188965136 333059497 /nfs/dbraw/zinc/05/94/97/333059497.db2.gz BNTNPJNVDCBFKP-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC000188965136 333059499 /nfs/dbraw/zinc/05/94/99/333059499.db2.gz BNTNPJNVDCBFKP-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000122866980 337027531 /nfs/dbraw/zinc/02/75/31/337027531.db2.gz LQOFCQVVWMBUKQ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000122866980 337027532 /nfs/dbraw/zinc/02/75/32/337027532.db2.gz LQOFCQVVWMBUKQ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000122919708 337030479 /nfs/dbraw/zinc/03/04/79/337030479.db2.gz BDSXZASAIZSPKQ-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC000122919708 337030480 /nfs/dbraw/zinc/03/04/80/337030480.db2.gz BDSXZASAIZSPKQ-OAHLLOKOSA-N 2 2 321.827 4.075 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000178312342 337163797 /nfs/dbraw/zinc/16/37/97/337163797.db2.gz SDHMPAVRYGOXAR-HXUWFJFHSA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2ccccc2c1 ZINC000178312342 337163798 /nfs/dbraw/zinc/16/37/98/337163798.db2.gz SDHMPAVRYGOXAR-HXUWFJFHSA-N 2 2 305.425 4.009 10 0 DIAELP C[C@@H]([NH2+][C@@H](C)C1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187262693 337264722 /nfs/dbraw/zinc/26/47/22/337264722.db2.gz LKVQBKPXTSKMKP-LSDHHAIUSA-N 2 2 315.486 4.055 10 0 DIAELP CC[NH+](CC)CCC[C@H](C)[NH2+]c1ccc2c(c1)CC(C)(C)O2 ZINC000584615853 337372905 /nfs/dbraw/zinc/37/29/05/337372905.db2.gz LZZPOQPRCLAOMG-HNNXBMFYSA-N 2 2 304.478 4.323 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000106217676 522593394 /nfs/dbraw/zinc/59/33/94/522593394.db2.gz JBEOHSHWKRNIPG-CYBMUJFWSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000106217676 522593403 /nfs/dbraw/zinc/59/34/03/522593403.db2.gz JBEOHSHWKRNIPG-CYBMUJFWSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213350 522600771 /nfs/dbraw/zinc/60/07/71/522600771.db2.gz IUENWRXYZXMLIX-PKOBYXMFSA-N 2 2 309.457 4.160 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213350 522600774 /nfs/dbraw/zinc/60/07/74/522600774.db2.gz IUENWRXYZXMLIX-PKOBYXMFSA-N 2 2 309.457 4.160 10 0 DIAELP CC[NH+](CC)CCCn1c(C)[nH+]c2cc(C(F)(F)F)ccc21 ZINC000040403506 183061662 /nfs/dbraw/zinc/06/16/62/183061662.db2.gz CAXPMABMZNXNDT-UHFFFAOYSA-N 2 2 313.367 4.095 10 0 DIAELP Fc1ccc2[nH]c(CCNc3cc[nH+]c4cc(F)ccc34)[nH+]c2c1 ZINC000301725292 336325759 /nfs/dbraw/zinc/32/57/59/336325759.db2.gz PMWNRBBMVXXFOQ-UHFFFAOYSA-N 2 2 324.334 4.044 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000122860287 337027313 /nfs/dbraw/zinc/02/73/13/337027313.db2.gz AKAONTIBSDASSR-INIZCTEOSA-N 2 2 309.413 4.029 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000122860287 337027314 /nfs/dbraw/zinc/02/73/14/337027314.db2.gz AKAONTIBSDASSR-INIZCTEOSA-N 2 2 309.413 4.029 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000179542863 337170186 /nfs/dbraw/zinc/17/01/86/337170186.db2.gz JJWWLHIGOMLZJQ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000179542863 337170187 /nfs/dbraw/zinc/17/01/87/337170187.db2.gz JJWWLHIGOMLZJQ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000180132431 337171552 /nfs/dbraw/zinc/17/15/52/337171552.db2.gz JONIRTPUALFYSF-AWEZNQCLSA-N 2 2 324.255 4.163 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000180132431 337171553 /nfs/dbraw/zinc/17/15/53/337171553.db2.gz JONIRTPUALFYSF-AWEZNQCLSA-N 2 2 324.255 4.163 10 0 DIAELP CC[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005126 341359771 /nfs/dbraw/zinc/35/97/71/341359771.db2.gz KZEBLQHBEWONRP-MAUKXSAKSA-N 2 2 319.399 4.085 10 0 DIAELP CC[C@H](c1ccc(F)cc1F)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247005126 341359772 /nfs/dbraw/zinc/35/97/72/341359772.db2.gz KZEBLQHBEWONRP-MAUKXSAKSA-N 2 2 319.399 4.085 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871602 341370840 /nfs/dbraw/zinc/37/08/40/341370840.db2.gz XQNDFJULLPAQSD-MJGOQNOKSA-N 2 2 311.473 4.104 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC000247871602 341370841 /nfs/dbraw/zinc/37/08/41/341370841.db2.gz XQNDFJULLPAQSD-MJGOQNOKSA-N 2 2 311.473 4.104 10 0 DIAELP Cc1cccc(N2CCC[C@H](c3[nH]cc(-c4ccccc4)[nH+]3)C2)[nH+]1 ZINC000157562896 524540592 /nfs/dbraw/zinc/54/05/92/524540592.db2.gz FLFGWYQQUBXHEH-KRWDZBQOSA-N 2 2 318.424 4.164 10 0 DIAELP CC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1ccccc1OC ZINC000152262022 1038599540 /nfs/dbraw/zinc/59/95/40/1038599540.db2.gz SUEGDVYXFVWROM-GOSISDBHSA-N 2 2 321.424 4.122 10 0 DIAELP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000246409982 1046795101 /nfs/dbraw/zinc/79/51/01/1046795101.db2.gz MJDKKHYOYHBSBK-QKLQHJQFSA-N 2 2 317.521 4.411 10 0 DIAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247076447 1046824357 /nfs/dbraw/zinc/82/43/57/1046824357.db2.gz QOUHYJCIOMBMSE-JRGCBEDISA-N 2 2 323.484 4.033 10 0 DIAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247076447 1046824377 /nfs/dbraw/zinc/82/43/77/1046824377.db2.gz QOUHYJCIOMBMSE-JRGCBEDISA-N 2 2 323.484 4.033 10 0 DIAELP C[n+]1ccc(C2=CC(=C3C=C[NH+](C)C=C3)C3=C2CCCC3)cc1 ZINC000005377908 181236481 /nfs/dbraw/zinc/23/64/81/181236481.db2.gz KVPJOBQYBLZSJB-UHFFFAOYSA-N 2 2 303.429 4.048 10 0 DIAELP CCC1CCC([N@H+](C)[C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000042318508 183253467 /nfs/dbraw/zinc/25/34/67/183253467.db2.gz VLODNPOSSZLJQE-BPCQOVAHSA-N 2 2 300.899 4.302 10 0 DIAELP CCC1CCC([N@@H+](C)[C@@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000042318508 183253468 /nfs/dbraw/zinc/25/34/68/183253468.db2.gz VLODNPOSSZLJQE-BPCQOVAHSA-N 2 2 300.899 4.302 10 0 DIAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042579784 183286253 /nfs/dbraw/zinc/28/62/53/183286253.db2.gz VRBMGOGVODFKBA-AWEZNQCLSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042579784 183286256 /nfs/dbraw/zinc/28/62/56/183286256.db2.gz VRBMGOGVODFKBA-AWEZNQCLSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579236 183286745 /nfs/dbraw/zinc/28/67/45/183286745.db2.gz VEBNFRRMFGTEKD-HNNXBMFYSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042579236 183286747 /nfs/dbraw/zinc/28/67/47/183286747.db2.gz VEBNFRRMFGTEKD-HNNXBMFYSA-N 2 2 303.277 4.360 10 0 DIAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1CCSCC1 ZINC000187262711 337264705 /nfs/dbraw/zinc/26/47/05/337264705.db2.gz LKVQBKPXTSKMKP-CABCVRRESA-N 2 2 315.486 4.055 10 0 DIAELP C[C@H]([NH2+]Cc1cc(Cl)cs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000193131774 340572838 /nfs/dbraw/zinc/57/28/38/340572838.db2.gz DKJAVKOXAGMJKN-LBPRGKRZSA-N 2 2 317.845 4.438 10 0 DIAELP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525107 341352552 /nfs/dbraw/zinc/35/25/52/341352552.db2.gz UYQWXQMUJZKBRH-LLGFUMIMSA-N 2 2 323.484 4.128 10 0 DIAELP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(-c3ccncc3)c2)C1 ZINC000246525107 341352553 /nfs/dbraw/zinc/35/25/53/341352553.db2.gz UYQWXQMUJZKBRH-LLGFUMIMSA-N 2 2 323.484 4.128 10 0 DIAELP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000020021012 182179749 /nfs/dbraw/zinc/17/97/49/182179749.db2.gz VYUFQZMFCIUFAZ-LLVKDONJSA-N 2 2 303.277 4.232 10 0 DIAELP C[N@H+]([C@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021038284 182262907 /nfs/dbraw/zinc/26/29/07/182262907.db2.gz UIIYOVBVDDMQLD-CQSZACIVSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@H](C[NH3+])c1cccc(Cl)c1Cl)C1CCCCC1 ZINC000021038284 182262908 /nfs/dbraw/zinc/26/29/08/182262908.db2.gz UIIYOVBVDDMQLD-CQSZACIVSA-N 2 2 301.261 4.258 10 0 DIAELP CCCOc1ccc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000020930812 182255441 /nfs/dbraw/zinc/25/54/41/182255441.db2.gz DUEFDJXMJKSIHD-UHFFFAOYSA-N 2 2 323.440 4.005 10 0 DIAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042579787 183286822 /nfs/dbraw/zinc/28/68/22/183286822.db2.gz VRBMGOGVODFKBA-CQSZACIVSA-N 2 2 303.277 4.360 10 0 DIAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000042579787 183286824 /nfs/dbraw/zinc/28/68/24/183286824.db2.gz VRBMGOGVODFKBA-CQSZACIVSA-N 2 2 303.277 4.360 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000171524062 337087787 /nfs/dbraw/zinc/08/77/87/337087787.db2.gz BPEMAMSPRRFZOH-INIZCTEOSA-N 2 2 315.486 4.005 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000171524062 337087788 /nfs/dbraw/zinc/08/77/88/337087788.db2.gz BPEMAMSPRRFZOH-INIZCTEOSA-N 2 2 315.486 4.005 10 0 DIAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251028 340379671 /nfs/dbraw/zinc/37/96/71/340379671.db2.gz LQTBCTJZHHCTLD-PXNSSMCTSA-N 2 2 324.468 4.010 10 0 DIAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(OCc2ccccc2)cc1 ZINC000305251028 340379672 /nfs/dbraw/zinc/37/96/72/340379672.db2.gz LQTBCTJZHHCTLD-PXNSSMCTSA-N 2 2 324.468 4.010 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213347 522593930 /nfs/dbraw/zinc/59/39/30/522593930.db2.gz IUENWRXYZXMLIX-IEBWSBKVSA-N 2 2 309.457 4.160 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000106213347 522593938 /nfs/dbraw/zinc/59/39/38/522593938.db2.gz IUENWRXYZXMLIX-IEBWSBKVSA-N 2 2 309.457 4.160 10 0 DIAELP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC(C)(C)Oc4ccccc43)n2c1 ZINC000157606711 526258295 /nfs/dbraw/zinc/25/82/95/526258295.db2.gz FNMYUNNUMMWQFF-QGZVFWFLSA-N 2 2 321.424 4.035 10 0 DIAELP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC(C)(C)Oc4ccccc43)n2c1 ZINC000157606855 526258919 /nfs/dbraw/zinc/25/89/19/526258919.db2.gz FNMYUNNUMMWQFF-KRWDZBQOSA-N 2 2 321.424 4.035 10 0 DIAELP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000120889477 1045496888 /nfs/dbraw/zinc/49/68/88/1045496888.db2.gz QOUHYJCIOMBMSE-DZFGPLHGSA-N 2 2 323.484 4.033 10 0 DIAELP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)c1ccccc1 ZINC000120889477 1045496890 /nfs/dbraw/zinc/49/68/90/1045496890.db2.gz QOUHYJCIOMBMSE-DZFGPLHGSA-N 2 2 323.484 4.033 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580211 183287135 /nfs/dbraw/zinc/28/71/35/183287135.db2.gz HCEGWOFJALAJRF-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000042580211 183287136 /nfs/dbraw/zinc/28/71/36/183287136.db2.gz HCEGWOFJALAJRF-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CCCC[C@@](C=C=C(C)C)(CC)C[NH2+]CCC[NH+]1CCOCC1 ZINC000584636048 337377478 /nfs/dbraw/zinc/37/74/78/337377478.db2.gz SZQBMMNAUNGFDD-HXUWFJFHSA-N 2 2 322.537 4.006 10 0 DIAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246325158 337535577 /nfs/dbraw/zinc/53/55/77/337535577.db2.gz FRPMVGZWRDPKOR-PFRQMTDMSA-N 2 2 315.505 4.021 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212205 522592855 /nfs/dbraw/zinc/59/28/55/522592855.db2.gz FTNFZCFUKNTNJD-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC000106212205 522592864 /nfs/dbraw/zinc/59/28/64/522592864.db2.gz FTNFZCFUKNTNJD-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000192793460 1044311028 /nfs/dbraw/zinc/31/10/28/1044311028.db2.gz CIBGTUZIIBGQLD-KXBFYZLASA-N 2 2 319.408 4.047 10 0 DIAELP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247077952 1046825303 /nfs/dbraw/zinc/82/53/03/1046825303.db2.gz QOUHYJCIOMBMSE-QMMLZNLJSA-N 2 2 323.484 4.033 10 0 DIAELP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)c1ccccc1 ZINC000247077952 1046825324 /nfs/dbraw/zinc/82/53/24/1046825324.db2.gz QOUHYJCIOMBMSE-QMMLZNLJSA-N 2 2 323.484 4.033 10 0 DIAELP C[N@H+]([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557282 182231325 /nfs/dbraw/zinc/23/13/25/182231325.db2.gz IXWPOJADPAFTMV-OAHLLOKOSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557282 182231327 /nfs/dbraw/zinc/23/13/27/182231327.db2.gz IXWPOJADPAFTMV-OAHLLOKOSA-N 2 2 301.261 4.258 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580098 183287237 /nfs/dbraw/zinc/28/72/37/183287237.db2.gz XLCKJAAFARBXDF-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000042580098 183287240 /nfs/dbraw/zinc/28/72/40/183287240.db2.gz XLCKJAAFARBXDF-HNNXBMFYSA-N 2 2 301.261 4.114 10 0 DIAELP Cc1cccc2c(NCc3cn4c(cccc4C)[nH+]3)cc[nH+]c12 ZINC000301641046 336320132 /nfs/dbraw/zinc/32/01/32/336320132.db2.gz BHPNQJQHVGHVDU-UHFFFAOYSA-N 2 2 302.381 4.111 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000122953530 337030937 /nfs/dbraw/zinc/03/09/37/337030937.db2.gz BTMAKKDMLBEHHJ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000122953530 337030938 /nfs/dbraw/zinc/03/09/38/337030938.db2.gz BTMAKKDMLBEHHJ-AWEZNQCLSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000122953335 337030960 /nfs/dbraw/zinc/03/09/60/337030960.db2.gz BTMAKKDMLBEHHJ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000122953335 337030961 /nfs/dbraw/zinc/03/09/61/337030961.db2.gz BTMAKKDMLBEHHJ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(SC)cc2)C1 ZINC000171524059 337087741 /nfs/dbraw/zinc/08/77/41/337087741.db2.gz BPEMAMSPRRFZOH-MRXNPFEDSA-N 2 2 315.486 4.005 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(SC)cc2)C1 ZINC000171524059 337087742 /nfs/dbraw/zinc/08/77/42/337087742.db2.gz BPEMAMSPRRFZOH-MRXNPFEDSA-N 2 2 315.486 4.005 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323802 337163975 /nfs/dbraw/zinc/16/39/75/337163975.db2.gz LIWPSDIXXSEABO-GUYCJALGSA-N 2 2 303.837 4.071 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc(Cl)c1 ZINC000178323802 337163976 /nfs/dbraw/zinc/16/39/76/337163976.db2.gz LIWPSDIXXSEABO-GUYCJALGSA-N 2 2 303.837 4.071 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000179542852 337170200 /nfs/dbraw/zinc/17/02/00/337170200.db2.gz JJWWLHIGOMLZJQ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC000179542852 337170201 /nfs/dbraw/zinc/17/02/01/337170201.db2.gz JJWWLHIGOMLZJQ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1ccccc1Cl ZINC000247030324 341360157 /nfs/dbraw/zinc/36/01/57/341360157.db2.gz MHQJIAFGWRNWGN-HIFRSBDPSA-N 2 2 303.837 4.071 10 0 DIAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1Cl ZINC000247030324 341360158 /nfs/dbraw/zinc/36/01/58/341360158.db2.gz MHQJIAFGWRNWGN-HIFRSBDPSA-N 2 2 303.837 4.071 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212165 522600000 /nfs/dbraw/zinc/60/00/00/522600000.db2.gz UGNFTLNTSQZOTI-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212165 522600006 /nfs/dbraw/zinc/60/00/06/522600006.db2.gz UGNFTLNTSQZOTI-ZFWWWQNUSA-N 2 2 319.399 4.122 10 0 DIAELP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773984 1053769823 /nfs/dbraw/zinc/76/98/23/1053769823.db2.gz MUSNMWADQZDBRX-XQQFMLRXSA-N 2 2 313.272 4.271 10 0 DIAELP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1Cl ZINC000268773984 1053769834 /nfs/dbraw/zinc/76/98/34/1053769834.db2.gz MUSNMWADQZDBRX-XQQFMLRXSA-N 2 2 313.272 4.271 10 0 DIAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557280 182231191 /nfs/dbraw/zinc/23/11/91/182231191.db2.gz IXWPOJADPAFTMV-HNNXBMFYSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020557280 182231193 /nfs/dbraw/zinc/23/11/93/182231193.db2.gz IXWPOJADPAFTMV-HNNXBMFYSA-N 2 2 301.261 4.258 10 0 DIAELP C[C@@H]([NH2+][C@H]1CCc2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000151673249 332602324 /nfs/dbraw/zinc/60/23/24/332602324.db2.gz MERJSTKISBFWTR-QRWLVFNGSA-N 2 2 303.409 4.210 10 0 DIAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000151709636 332605128 /nfs/dbraw/zinc/60/51/28/332605128.db2.gz MHWKTQSGCJBUKC-HUUCEWRRSA-N 2 2 309.388 4.423 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2ccccc21 ZINC000178312977 337163854 /nfs/dbraw/zinc/16/38/54/337163854.db2.gz QGGFEFMJNZFOLL-LJQANCHMSA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2ccccc21 ZINC000178312977 337163855 /nfs/dbraw/zinc/16/38/55/337163855.db2.gz QGGFEFMJNZFOLL-LJQANCHMSA-N 2 2 305.425 4.009 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1Cl ZINC000180132446 337171616 /nfs/dbraw/zinc/17/16/16/337171616.db2.gz JONIRTPUALFYSF-CQSZACIVSA-N 2 2 324.255 4.163 10 0 DIAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1Cl ZINC000180132446 337171617 /nfs/dbraw/zinc/17/16/17/337171617.db2.gz JONIRTPUALFYSF-CQSZACIVSA-N 2 2 324.255 4.163 10 0 DIAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000246325176 337535566 /nfs/dbraw/zinc/53/55/66/337535566.db2.gz FRPMVGZWRDPKOR-YZLZLFLDSA-N 2 2 315.505 4.021 10 0 DIAELP c1coc([C@@H]2CCC[NH+]2CCC[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246993095 341359669 /nfs/dbraw/zinc/35/96/69/341359669.db2.gz MRZVRQIGWXXONB-IRXDYDNUSA-N 2 2 314.429 4.237 10 0 DIAELP c1coc([C@@H]2CCC[NH+]2CCC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246993095 341359670 /nfs/dbraw/zinc/35/96/70/341359670.db2.gz MRZVRQIGWXXONB-IRXDYDNUSA-N 2 2 314.429 4.237 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212162 522594123 /nfs/dbraw/zinc/59/41/23/522594123.db2.gz UGNFTLNTSQZOTI-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC000106212162 522594129 /nfs/dbraw/zinc/59/41/29/522594129.db2.gz UGNFTLNTSQZOTI-DZGCQCFKSA-N 2 2 319.399 4.122 10 0 DIAELP [NH3+]C[C@H](c1ccc(SC(F)(F)F)cc1)[NH+]1CCCCCC1 ZINC000019231454 182109537 /nfs/dbraw/zinc/10/95/37/182109537.db2.gz CSOBBNLUIJYMDP-CQSZACIVSA-N 2 2 318.408 4.174 10 0 DIAELP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1Cl ZINC000020021015 182179836 /nfs/dbraw/zinc/17/98/36/182179836.db2.gz VYUFQZMFCIUFAZ-NSHDSACASA-N 2 2 303.277 4.232 10 0 DIAELP CC1(C)CC([NH2+]Cc2c(Cl)cccc2Cl)CC(C)(C)[NH2+]1 ZINC000020008571 182177028 /nfs/dbraw/zinc/17/70/28/182177028.db2.gz DHJZVIFHBWHHPO-UHFFFAOYSA-N 2 2 315.288 4.392 10 0 DIAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021032306 182261979 /nfs/dbraw/zinc/26/19/79/182261979.db2.gz BRCXGTXQWNUHBZ-HNNXBMFYSA-N 2 2 301.261 4.258 10 0 DIAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000021032306 182261981 /nfs/dbraw/zinc/26/19/81/182261981.db2.gz BRCXGTXQWNUHBZ-HNNXBMFYSA-N 2 2 301.261 4.258 10 0 DIAELP CC(C)Oc1ccc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000040719416 183123925 /nfs/dbraw/zinc/12/39/25/183123925.db2.gz SVWXMPKOFHQIKR-UHFFFAOYSA-N 2 2 323.440 4.003 10 0 DIAELP CCC1CCC([N@H+](C)[C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000042318512 183253585 /nfs/dbraw/zinc/25/35/85/183253585.db2.gz VLODNPOSSZLJQE-WXRRBKDZSA-N 2 2 300.899 4.302 10 0 DIAELP CCC1CCC([N@@H+](C)[C@H](C[NH3+])c2ccc(Cl)s2)CC1 ZINC000042318512 183253587 /nfs/dbraw/zinc/25/35/87/183253587.db2.gz VLODNPOSSZLJQE-WXRRBKDZSA-N 2 2 300.899 4.302 10 0 DIAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042580350 183287267 /nfs/dbraw/zinc/28/72/67/183287267.db2.gz IVFMEQOCXLOCRD-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000042580350 183287269 /nfs/dbraw/zinc/28/72/69/183287269.db2.gz IVFMEQOCXLOCRD-OAHLLOKOSA-N 2 2 301.261 4.114 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000122866778 337027498 /nfs/dbraw/zinc/02/74/98/337027498.db2.gz LQOFCQVVWMBUKQ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000122866778 337027499 /nfs/dbraw/zinc/02/74/99/337027499.db2.gz LQOFCQVVWMBUKQ-CQSZACIVSA-N 2 2 321.827 4.075 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000106217765 522599342 /nfs/dbraw/zinc/59/93/42/522599342.db2.gz MFGXRPVGJZMJPW-KBPBESRZSA-N 2 2 319.399 4.122 10 0 DIAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC000106217765 522599350 /nfs/dbraw/zinc/59/93/50/522599350.db2.gz MFGXRPVGJZMJPW-KBPBESRZSA-N 2 2 319.399 4.122 10 0 DIAELP