smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000483873671 339677574 /nfs/dbraw/zinc/67/75/74/339677574.db2.gz RXSVHVZQEIAVBN-INIZCTEOSA-N 2 1 321.465 4.063 20 5 DIBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843057826 1047526571 /nfs/dbraw/zinc/52/65/71/1047526571.db2.gz LWWANQQJFYHTRJ-MAUKXSAKSA-N 2 1 304.437 4.162 20 5 DIBDMP Clc1c2ccccc2c(C[N@@H+]2CCC[NH2+]CC2)c2ccccc12 ZINC001204675139 1049220603 /nfs/dbraw/zinc/22/06/03/1049220603.db2.gz IFWBHHXWTZOOMT-UHFFFAOYSA-N 2 1 324.855 4.442 20 5 DIBDMP Clc1c2ccccc2c(C[N@H+]2CCC[NH2+]CC2)c2ccccc12 ZINC001204675139 1049220611 /nfs/dbraw/zinc/22/06/11/1049220611.db2.gz IFWBHHXWTZOOMT-UHFFFAOYSA-N 2 1 324.855 4.442 20 5 DIBDMP C[C@]1([NH3+])CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001204937603 1049317085 /nfs/dbraw/zinc/31/70/85/1049317085.db2.gz FXNMBJRDVTUIMG-NRFANRHFSA-N 2 1 304.437 4.306 20 5 DIBDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001204937604 1049317601 /nfs/dbraw/zinc/31/76/01/1049317601.db2.gz FXNMBJRDVTUIMG-OAQYLSRUSA-N 2 1 304.437 4.306 20 5 DIBDMP C[C@H]1C[NH2+]CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001206263096 1049693423 /nfs/dbraw/zinc/69/34/23/1049693423.db2.gz OAGBJBDJOQTPPX-INIZCTEOSA-N 2 1 304.437 4.177 20 5 DIBDMP [NH3+][C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174159 1051490105 /nfs/dbraw/zinc/49/01/05/1051490105.db2.gz MAEKKDHQUCQJIH-LEWJYISDSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174159 1051490109 /nfs/dbraw/zinc/49/01/09/1051490109.db2.gz MAEKKDHQUCQJIH-LEWJYISDSA-N 2 1 322.427 4.254 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222196727 1052459960 /nfs/dbraw/zinc/45/99/60/1052459960.db2.gz BQDFMEIDEQHQGM-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222196727 1052459964 /nfs/dbraw/zinc/45/99/64/1052459964.db2.gz BQDFMEIDEQHQGM-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235112004 1054660631 /nfs/dbraw/zinc/66/06/31/1054660631.db2.gz SVDQPHPKHPYISA-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235274006 1054697586 /nfs/dbraw/zinc/69/75/86/1054697586.db2.gz SZRMRBGKCKXZAF-AVRDEDQJSA-N 2 1 316.448 4.177 20 5 DIBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235751410 1054799148 /nfs/dbraw/zinc/79/91/48/1054799148.db2.gz YHCVDTHXRYKBGR-OAHLLOKOSA-N 2 1 314.432 4.365 20 5 DIBDMP C[N@@H+](Cc1c2ccccc2cc2ccccc21)CC12CC([NH3+])(C1)C2 ZINC001235963336 1054874028 /nfs/dbraw/zinc/87/40/28/1054874028.db2.gz SHMPGGCBUUWCKP-UHFFFAOYSA-N 2 1 316.448 4.306 20 5 DIBDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236047853 1054912618 /nfs/dbraw/zinc/91/26/18/1054912618.db2.gz NKMLGWRAOKUMEL-MAUKXSAKSA-N 2 1 304.437 4.162 20 5 DIBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@@H]12 ZINC001236828904 1055280029 /nfs/dbraw/zinc/28/00/29/1055280029.db2.gz JKAWOLQVMKWRBX-UCNVEGJOSA-N 2 1 316.448 4.162 20 5 DIBDMP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236885290 1055302547 /nfs/dbraw/zinc/30/25/47/1055302547.db2.gz CRYAUUBKYXJQKT-AWEZNQCLSA-N 2 1 302.421 4.363 20 5 DIBDMP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001236885290 1055302565 /nfs/dbraw/zinc/30/25/65/1055302565.db2.gz CRYAUUBKYXJQKT-AWEZNQCLSA-N 2 1 302.421 4.363 20 5 DIBDMP Cc1ccc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000483873673 339677559 /nfs/dbraw/zinc/67/75/59/339677559.db2.gz RXSVHVZQEIAVBN-MRXNPFEDSA-N 2 1 321.465 4.063 20 5 DIBDMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769403694 1052041790 /nfs/dbraw/zinc/04/17/90/1052041790.db2.gz IYAMGPQEVRPHMF-QGZVFWFLSA-N 2 1 318.464 4.377 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222619904 1052518536 /nfs/dbraw/zinc/51/85/36/1052518536.db2.gz APQFHXVMRXHMOB-PGRDOPGGSA-N 2 1 316.448 4.177 20 5 DIBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000916835214 1052658225 /nfs/dbraw/zinc/65/82/25/1052658225.db2.gz LBGCVQGNJBSUSN-KRWDZBQOSA-N 2 1 318.464 4.424 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235112003 1054660652 /nfs/dbraw/zinc/66/06/52/1054660652.db2.gz SVDQPHPKHPYISA-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP [NH3+][C@@H]1[C@H]2C[N@H+](Cc3c4ccccc4c(Cl)c4ccccc43)C[C@H]21 ZINC001235209515 1054684080 /nfs/dbraw/zinc/68/40/80/1054684080.db2.gz AZEDWILSGIDTAI-RUYXUALKSA-N 2 1 322.839 4.035 20 5 DIBDMP [NH3+][C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1c3ccccc3cc3ccccc31)C2 ZINC001235960225 1054872941 /nfs/dbraw/zinc/87/29/41/1054872941.db2.gz RZHRDEJTQUNPBN-OPMZPASUSA-N 2 1 316.448 4.162 20 5 DIBDMP CC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361802994 1044445792 /nfs/dbraw/zinc/44/57/92/1044445792.db2.gz CLQQMVVZMNORPY-SFHVURJKSA-N 2 1 321.465 4.144 20 5 DIBDMP c1cc2ccc3ccc(C[N@H+]4CCC[NH2+]CC4)c4ccc(c1)c2c34 ZINC001204655137 1049212316 /nfs/dbraw/zinc/21/23/16/1049212316.db2.gz XLLGYKJMSXCPOF-UHFFFAOYSA-N 2 1 314.432 4.379 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235034332 1054644679 /nfs/dbraw/zinc/64/46/79/1054644679.db2.gz WOJUGSSJYPSAPZ-JOCHJYFZSA-N 2 1 316.448 4.178 20 5 DIBDMP [NH3+][C@H]1CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235364097 1054710468 /nfs/dbraw/zinc/71/04/68/1054710468.db2.gz UZPRALRWTVPGCO-SFHVURJKSA-N 2 1 300.405 4.117 20 5 DIBDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235364097 1054710486 /nfs/dbraw/zinc/71/04/86/1054710486.db2.gz UZPRALRWTVPGCO-SFHVURJKSA-N 2 1 300.405 4.117 20 5 DIBDMP C[N@@H+](CCC[NH3+])Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001235435775 1054721342 /nfs/dbraw/zinc/72/13/42/1054721342.db2.gz YJFIQZZGUFRBJA-UHFFFAOYSA-N 2 1 312.844 4.427 20 5 DIBDMP C[C@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235906911 1054841952 /nfs/dbraw/zinc/84/19/52/1054841952.db2.gz PHLOKAQIWISKOY-YJBOKZPZSA-N 2 1 304.437 4.305 20 5 DIBDMP C[C@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235906906 1054843140 /nfs/dbraw/zinc/84/31/40/1054843140.db2.gz PHLOKAQIWISKOY-MAUKXSAKSA-N 2 1 304.437 4.305 20 5 DIBDMP C[N@@H+](CCC1C[NH2+]C1)Cc1c2ccccc2cc2ccccc21 ZINC001235961682 1054872181 /nfs/dbraw/zinc/87/21/81/1054872181.db2.gz DVPQYCGVQMARQW-UHFFFAOYSA-N 2 1 304.437 4.034 20 5 DIBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843052155 1047525725 /nfs/dbraw/zinc/52/57/25/1047525725.db2.gz INLOWXOWQQMPKG-MRXNPFEDSA-N 2 1 304.437 4.034 20 5 DIBDMP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205075797 1049364002 /nfs/dbraw/zinc/36/40/02/1049364002.db2.gz NXLKTAJBPWTALR-YJBOKZPZSA-N 2 1 304.437 4.305 20 5 DIBDMP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001205075797 1049364014 /nfs/dbraw/zinc/36/40/14/1049364014.db2.gz NXLKTAJBPWTALR-YJBOKZPZSA-N 2 1 304.437 4.305 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222471062 1052504044 /nfs/dbraw/zinc/50/40/44/1052504044.db2.gz KQFXNNXVBBFWMP-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222471062 1052504045 /nfs/dbraw/zinc/50/40/45/1052504045.db2.gz KQFXNNXVBBFWMP-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001235146057 1054667032 /nfs/dbraw/zinc/66/70/32/1054667032.db2.gz GVSHFWCONOAQQF-AVRDEDQJSA-N 2 1 312.416 4.117 20 5 DIBDMP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001235146057 1054667040 /nfs/dbraw/zinc/66/70/40/1054667040.db2.gz GVSHFWCONOAQQF-AVRDEDQJSA-N 2 1 312.416 4.117 20 5 DIBDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236047856 1054911565 /nfs/dbraw/zinc/91/15/65/1054911565.db2.gz NKMLGWRAOKUMEL-QAPCUYQASA-N 2 1 304.437 4.162 20 5 DIBDMP [NH3+][C@@H]1CC[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001236171453 1054979286 /nfs/dbraw/zinc/97/92/86/1054979286.db2.gz ARNXJTNLUPAZMB-OAHLLOKOSA-N 2 1 316.404 4.224 20 5 DIBDMP [NH3+][C@@H]1CC[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001236171453 1054979297 /nfs/dbraw/zinc/97/92/97/1054979297.db2.gz ARNXJTNLUPAZMB-OAHLLOKOSA-N 2 1 316.404 4.224 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[NH2+]CCC[NH+]1CCC1 ZINC001474099977 1061646161 /nfs/dbraw/zinc/64/61/61/1061646161.db2.gz ROJAFHXLVHPXPI-UHFFFAOYSA-N 2 1 304.437 4.178 20 5 DIBDMP Cn1c[nH+]cc1CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC001474223353 1061784101 /nfs/dbraw/zinc/78/41/01/1061784101.db2.gz HWFRLDFJUDGEHM-UHFFFAOYSA-N 2 1 315.420 4.059 20 5 DIBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000531984188 334359044 /nfs/dbraw/zinc/35/90/44/334359044.db2.gz HTSFQCFWUYWJHI-MRXNPFEDSA-N 2 1 321.465 4.063 20 5 DIBDMP Cc1c([C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000483865545 1048876018 /nfs/dbraw/zinc/87/60/18/1048876018.db2.gz QYQZRTMVXQIIEB-INIZCTEOSA-N 2 1 321.465 4.063 20 5 DIBDMP [NH3+]CC1C[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001210546262 1050289784 /nfs/dbraw/zinc/28/97/84/1050289784.db2.gz VLXXYCNITZIYFX-UHFFFAOYSA-N 2 1 310.828 4.037 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222196728 1052460290 /nfs/dbraw/zinc/46/02/90/1052460290.db2.gz BQDFMEIDEQHQGM-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222196728 1052460294 /nfs/dbraw/zinc/46/02/94/1052460294.db2.gz BQDFMEIDEQHQGM-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282084 1052473562 /nfs/dbraw/zinc/47/35/62/1052473562.db2.gz FQOUENQIWCSMLH-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222282084 1052473567 /nfs/dbraw/zinc/47/35/67/1052473567.db2.gz FQOUENQIWCSMLH-JOCHJYFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235034334 1054643815 /nfs/dbraw/zinc/64/38/15/1054643815.db2.gz WOJUGSSJYPSAPZ-QFIPXVFZSA-N 2 1 316.448 4.178 20 5 DIBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001235674314 1054769936 /nfs/dbraw/zinc/76/99/36/1054769936.db2.gz FDGAUTFPOFSGEH-MRXNPFEDSA-N 2 1 304.437 4.164 20 5 DIBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CCC[NH2+]C1 ZINC001235957449 1054869535 /nfs/dbraw/zinc/86/95/35/1054869535.db2.gz OGMRXSQHAILESB-QGZVFWFLSA-N 2 1 318.464 4.424 20 5 DIBDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236047849 1054912770 /nfs/dbraw/zinc/91/27/70/1054912770.db2.gz NKMLGWRAOKUMEL-CRAIPNDOSA-N 2 1 304.437 4.162 20 5 DIBDMP C[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1[NH3+] ZINC001236093455 1054940522 /nfs/dbraw/zinc/94/05/22/1054940522.db2.gz IFVRLKOACXPORI-VLIAUNLRSA-N 2 1 314.432 4.363 20 5 DIBDMP C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1[NH3+] ZINC001236093455 1054940533 /nfs/dbraw/zinc/94/05/33/1054940533.db2.gz IFVRLKOACXPORI-VLIAUNLRSA-N 2 1 314.432 4.363 20 5 DIBDMP C[NH2+]CC1C[NH+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001210561930 1050294934 /nfs/dbraw/zinc/29/49/34/1050294934.db2.gz YIJNEJZGJYKMCY-UHFFFAOYSA-N 2 1 314.432 4.235 20 5 DIBDMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000769403644 1052042253 /nfs/dbraw/zinc/04/22/53/1052042253.db2.gz IYAMGPQEVRPHMF-KRWDZBQOSA-N 2 1 318.464 4.377 20 5 DIBDMP C[C@@H]1CC[C@H]([NH3+])C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235906909 1054841777 /nfs/dbraw/zinc/84/17/77/1054841777.db2.gz PHLOKAQIWISKOY-QAPCUYQASA-N 2 1 304.437 4.305 20 5 DIBDMP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001236419575 1055105599 /nfs/dbraw/zinc/10/55/99/1055105599.db2.gz JOHGSYSFGMKLLR-QVKFZJNVSA-N 2 1 304.437 4.305 20 5 DIBDMP C[C@H]([NH3+])C[N@@H+](C)Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001236899530 1055305836 /nfs/dbraw/zinc/30/58/36/1055305836.db2.gz LARBMKZGBOUXFI-ZDUSSCGKSA-N 2 1 312.844 4.425 20 5 DIBDMP C[N@@H+]1CC=C(C[NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000776258422 1048477260 /nfs/dbraw/zinc/47/72/60/1048477260.db2.gz RPFYENOMOYBOTA-UHFFFAOYSA-N 2 1 316.448 4.345 20 5 DIBDMP [NH3+][C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174162 1049675583 /nfs/dbraw/zinc/67/55/83/1049675583.db2.gz MAEKKDHQUCQJIH-SFTDATJTSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@@H]1F ZINC001206174162 1049675589 /nfs/dbraw/zinc/67/55/89/1049675589.db2.gz MAEKKDHQUCQJIH-SFTDATJTSA-N 2 1 322.427 4.254 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235194529 1054680557 /nfs/dbraw/zinc/68/05/57/1054680557.db2.gz YCZOAJVJXKAEFQ-RTBURBONSA-N 2 1 316.448 4.034 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235340872 1054703783 /nfs/dbraw/zinc/70/37/83/1054703783.db2.gz NBQBFXWAFHTWQJ-GOSISDBHSA-N 2 1 316.448 4.034 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235939901 1054858528 /nfs/dbraw/zinc/85/85/28/1054858528.db2.gz RAFLUTHVJGZTEA-RBUKOAKNSA-N 2 1 316.448 4.034 20 5 DIBDMP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001236419576 1055105388 /nfs/dbraw/zinc/10/53/88/1055105388.db2.gz JOHGSYSFGMKLLR-VFNWGFHPSA-N 2 1 304.437 4.305 20 5 DIBDMP C[C@H]([NH3+])C[N@@H+](C)Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001236898942 1055306444 /nfs/dbraw/zinc/30/64/44/1055306444.db2.gz CMQNSAMECLZKHV-AWEZNQCLSA-N 2 1 318.420 4.470 20 5 DIBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843052154 1047525610 /nfs/dbraw/zinc/52/56/10/1047525610.db2.gz INLOWXOWQQMPKG-INIZCTEOSA-N 2 1 304.437 4.034 20 5 DIBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843057825 1047526004 /nfs/dbraw/zinc/52/60/04/1047526004.db2.gz LWWANQQJFYHTRJ-CRAIPNDOSA-N 2 1 304.437 4.162 20 5 DIBDMP C[N@H+](CC[NH3+])Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001204700024 1049233067 /nfs/dbraw/zinc/23/30/67/1049233067.db2.gz VPLBMSCPYOTXBC-UHFFFAOYSA-N 2 1 304.393 4.081 20 5 DIBDMP C[N@@H+](CC[NH3+])Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001204700024 1049233073 /nfs/dbraw/zinc/23/30/73/1049233073.db2.gz VPLBMSCPYOTXBC-UHFFFAOYSA-N 2 1 304.393 4.081 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186029 1054678922 /nfs/dbraw/zinc/67/89/22/1054678922.db2.gz YCZOAJVJXKAEFQ-MOPGFXCFSA-N 2 1 316.448 4.034 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235274010 1054698136 /nfs/dbraw/zinc/69/81/36/1054698136.db2.gz SZRMRBGKCKXZAF-GCJKJVERSA-N 2 1 316.448 4.177 20 5 DIBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001235674310 1054766878 /nfs/dbraw/zinc/76/68/78/1054766878.db2.gz FDGAUTFPOFSGEH-INIZCTEOSA-N 2 1 304.437 4.164 20 5 DIBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001235750262 1054797869 /nfs/dbraw/zinc/79/78/69/1054797869.db2.gz NWZAESKABUZCBU-AWEZNQCLSA-N 2 1 324.855 4.427 20 5 DIBDMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccccc2cc2ccccc21 ZINC001235810814 1054811683 /nfs/dbraw/zinc/81/16/83/1054811683.db2.gz NYQIUUZIFUOWLN-REPLKXPHSA-N 2 1 316.448 4.447 20 5 DIBDMP [NH3+]CC[C@@H]1CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235926308 1054851427 /nfs/dbraw/zinc/85/14/27/1054851427.db2.gz XHKPNOWZJGBJBX-SFHVURJKSA-N 2 1 304.437 4.306 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061141 1054921784 /nfs/dbraw/zinc/92/17/84/1054921784.db2.gz NOCJLASHLLNRHK-LPHOPBHVSA-N 2 1 316.448 4.177 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236061141 1054921799 /nfs/dbraw/zinc/92/17/99/1054921799.db2.gz NOCJLASHLLNRHK-LPHOPBHVSA-N 2 1 316.448 4.177 20 5 DIBDMP CC1(C[NH3+])C[NH+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001206729691 1049785495 /nfs/dbraw/zinc/78/54/95/1049785495.db2.gz HETYJWVSVCLMRD-UHFFFAOYSA-N 2 1 324.855 4.427 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222471063 1052504018 /nfs/dbraw/zinc/50/40/18/1052504018.db2.gz KQFXNNXVBBFWMP-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222471063 1052504023 /nfs/dbraw/zinc/50/40/23/1052504023.db2.gz KQFXNNXVBBFWMP-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001235751409 1054797571 /nfs/dbraw/zinc/79/75/71/1054797571.db2.gz YHCVDTHXRYKBGR-HNNXBMFYSA-N 2 1 314.432 4.365 20 5 DIBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001235842631 1054821925 /nfs/dbraw/zinc/82/19/25/1054821925.db2.gz QFNKXHWAIVDATQ-MRXNPFEDSA-N 2 1 304.437 4.034 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235939896 1054858755 /nfs/dbraw/zinc/85/87/55/1054858755.db2.gz RAFLUTHVJGZTEA-MOPGFXCFSA-N 2 1 316.448 4.034 20 5 DIBDMP C[C@H]1C[C@H]([NH3+])C[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236047861 1054912487 /nfs/dbraw/zinc/91/24/87/1054912487.db2.gz NKMLGWRAOKUMEL-YJBOKZPZSA-N 2 1 304.437 4.162 20 5 DIBDMP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001236419574 1055105494 /nfs/dbraw/zinc/10/54/94/1055105494.db2.gz JOHGSYSFGMKLLR-BTYIYWSLSA-N 2 1 304.437 4.305 20 5 DIBDMP C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001246857390 1059138277 /nfs/dbraw/zinc/13/82/77/1059138277.db2.gz HLHSZNCSMSHLAF-MRXNPFEDSA-N 2 1 306.453 4.423 20 5 DIBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843057828 1047526056 /nfs/dbraw/zinc/52/60/56/1047526056.db2.gz LWWANQQJFYHTRJ-YJBOKZPZSA-N 2 1 304.437 4.162 20 5 DIBDMP [NH3+][C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001205110626 1049382115 /nfs/dbraw/zinc/38/21/15/1049382115.db2.gz XGSUUZGICSWDJC-GOSISDBHSA-N 2 1 304.437 4.306 20 5 DIBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000916835215 1052658002 /nfs/dbraw/zinc/65/80/02/1052658002.db2.gz LBGCVQGNJBSUSN-QGZVFWFLSA-N 2 1 318.464 4.424 20 5 DIBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001235842630 1054823871 /nfs/dbraw/zinc/82/38/71/1054823871.db2.gz QFNKXHWAIVDATQ-INIZCTEOSA-N 2 1 304.437 4.034 20 5 DIBDMP CC[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@@H]1CC[NH2+]C1 ZINC001236408867 1055100775 /nfs/dbraw/zinc/10/07/75/1055100775.db2.gz PRNLGCSXRRKZFZ-QGZVFWFLSA-N 2 1 318.464 4.424 20 5 DIBDMP CC[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CC[NH2+]C1 ZINC001236408866 1055100899 /nfs/dbraw/zinc/10/08/99/1055100899.db2.gz PRNLGCSXRRKZFZ-KRWDZBQOSA-N 2 1 318.464 4.424 20 5 DIBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236606071 1055204334 /nfs/dbraw/zinc/20/43/34/1055204334.db2.gz ZBHJEMAXVDQARX-NRFANRHFSA-N 2 1 304.437 4.164 20 5 DIBDMP CC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361802993 336773410 /nfs/dbraw/zinc/77/34/10/336773410.db2.gz CLQQMVVZMNORPY-GOSISDBHSA-N 2 1 321.465 4.144 20 5 DIBDMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000483865546 1048874482 /nfs/dbraw/zinc/87/44/82/1048874482.db2.gz QYQZRTMVXQIIEB-MRXNPFEDSA-N 2 1 321.465 4.063 20 5 DIBDMP C[C@@H]1CC[C@@H]([NH3+])C[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001235906904 1054842300 /nfs/dbraw/zinc/84/23/00/1054842300.db2.gz PHLOKAQIWISKOY-CRAIPNDOSA-N 2 1 304.437 4.305 20 5 DIBDMP C[NH2+]C[C@H]1CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001236417889 1055105203 /nfs/dbraw/zinc/10/52/03/1055105203.db2.gz VUMOWRDMAOKPIQ-GOSISDBHSA-N 2 1 304.437 4.177 20 5 DIBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@@H]12 ZINC001236828897 1055279642 /nfs/dbraw/zinc/27/96/42/1055279642.db2.gz JKAWOLQVMKWRBX-NQSCKRDGSA-N 2 1 316.448 4.162 20 5 DIBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001205008901 1049339249 /nfs/dbraw/zinc/33/92/49/1049339249.db2.gz GOMJKAUQBBDJNU-KRWDZBQOSA-N 2 1 318.464 4.424 20 5 DIBDMP [NH3+][C@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174161 1049675816 /nfs/dbraw/zinc/67/58/16/1049675816.db2.gz MAEKKDHQUCQJIH-RTWAWAEBSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174161 1049675821 /nfs/dbraw/zinc/67/58/21/1049675821.db2.gz MAEKKDHQUCQJIH-RTWAWAEBSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@H]1CC[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001235360703 1054709093 /nfs/dbraw/zinc/70/90/93/1054709093.db2.gz ARNXJTNLUPAZMB-HNNXBMFYSA-N 2 1 316.404 4.224 20 5 DIBDMP [NH3+][C@H]1CC[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C1 ZINC001235360703 1054709104 /nfs/dbraw/zinc/70/91/04/1054709104.db2.gz ARNXJTNLUPAZMB-HNNXBMFYSA-N 2 1 316.404 4.224 20 5 DIBDMP C[N@@H+](CCC[NH3+])Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001235435207 1054722086 /nfs/dbraw/zinc/72/20/86/1054722086.db2.gz CEVHGLDDASWLKJ-UHFFFAOYSA-N 2 1 318.420 4.471 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711965 1054785180 /nfs/dbraw/zinc/78/51/80/1054785180.db2.gz WNLYATKHFIPLIC-UHFFFAOYSA-N 2 1 316.448 4.178 20 5 DIBDMP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2ccccc2cc2ccccc21 ZINC001235777646 1054804592 /nfs/dbraw/zinc/80/45/92/1054804592.db2.gz NYQIUUZIFUOWLN-YQQQUEKLSA-N 2 1 316.448 4.447 20 5 DIBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)C[C@H]1CCC[NH2+]C1 ZINC001235957448 1054870271 /nfs/dbraw/zinc/87/02/71/1054870271.db2.gz OGMRXSQHAILESB-KRWDZBQOSA-N 2 1 318.464 4.424 20 5 DIBDMP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1c2ccccc2cc2ccccc21 ZINC001236419577 1055105272 /nfs/dbraw/zinc/10/52/72/1055105272.db2.gz JOHGSYSFGMKLLR-YCRPNKLZSA-N 2 1 304.437 4.305 20 5 DIBDMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]12 ZINC001236828899 1055280618 /nfs/dbraw/zinc/28/06/18/1055280618.db2.gz JKAWOLQVMKWRBX-PIPMEXSNSA-N 2 1 316.448 4.162 20 5 DIBDMP C[NH2+]CC[C@H](C)[N@@H+](C)Cc1c2ccccc2cc2ccccc21 ZINC001246857387 1059136051 /nfs/dbraw/zinc/13/60/51/1059136051.db2.gz HLHSZNCSMSHLAF-INIZCTEOSA-N 2 1 306.453 4.423 20 5 DIBDMP C[NH+]1CCC([NH2+]Cc2c3ccccc3cc3ccccc32)CC1 ZINC000017313826 1043299204 /nfs/dbraw/zinc/29/92/04/1043299204.db2.gz VYPUSDNQJFOPJS-UHFFFAOYSA-N 2 1 304.437 4.177 20 5 DIBDMP C[N@H+](Cc1c2ccccc2cc2ccccc21)CC1CC[NH2+]CC1 ZINC001207439651 1049893708 /nfs/dbraw/zinc/89/37/08/1049893708.db2.gz XKKOAENVVOLMQL-UHFFFAOYSA-N 2 1 318.464 4.424 20 5 DIBDMP [NH3+][C@@H]1CC[N@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174160 1051490150 /nfs/dbraw/zinc/49/01/50/1051490150.db2.gz MAEKKDHQUCQJIH-NHCUHLMSSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[C@H]1F ZINC001206174160 1051490154 /nfs/dbraw/zinc/49/01/54/1051490154.db2.gz MAEKKDHQUCQJIH-NHCUHLMSSA-N 2 1 322.427 4.254 20 5 DIBDMP [NH3+][C@H]1[C@H]2C[N@H+](Cc3c4ccccc4c(Cl)c4ccccc43)C[C@@H]12 ZINC001235282566 1054697305 /nfs/dbraw/zinc/69/73/05/1054697305.db2.gz AZEDWILSGIDTAI-OPVJXMOQSA-N 2 1 322.839 4.035 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235340875 1054702237 /nfs/dbraw/zinc/70/22/37/1054702237.db2.gz NBQBFXWAFHTWQJ-SFHVURJKSA-N 2 1 316.448 4.034 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235939899 1054859012 /nfs/dbraw/zinc/85/90/12/1054859012.db2.gz RAFLUTHVJGZTEA-OALUTQOASA-N 2 1 316.448 4.034 20 5 DIBDMP [NH3+][C@@]12C[C@@H]1C[N@H+](Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001236018491 1054900239 /nfs/dbraw/zinc/90/02/39/1054900239.db2.gz GVSHFWCONOAQQF-XMSQKQJNSA-N 2 1 312.416 4.117 20 5 DIBDMP [NH3+][C@@]12C[C@@H]1C[N@@H+](Cc1ccc3ccc4cccc5ccc1c3c45)C2 ZINC001236018491 1054900252 /nfs/dbraw/zinc/90/02/52/1054900252.db2.gz GVSHFWCONOAQQF-XMSQKQJNSA-N 2 1 312.416 4.117 20 5 DIBDMP C[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCC[NH2+]1 ZINC001236094616 1054941314 /nfs/dbraw/zinc/94/13/14/1054941314.db2.gz GNCXDEIOGLZSFZ-INIZCTEOSA-N 2 1 304.437 4.177 20 5 DIBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000731041657 1057733153 /nfs/dbraw/zinc/73/31/53/1057733153.db2.gz MWQHCGWZPMZYFV-QGZVFWFLSA-N 2 1 318.464 4.424 20 5 DIBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC000843057827 1047525986 /nfs/dbraw/zinc/52/59/86/1047525986.db2.gz LWWANQQJFYHTRJ-QAPCUYQASA-N 2 1 304.437 4.162 20 5 DIBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001205008903 1049338806 /nfs/dbraw/zinc/33/88/06/1049338806.db2.gz GOMJKAUQBBDJNU-QGZVFWFLSA-N 2 1 318.464 4.424 20 5 DIBDMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@@H]1[NH3+] ZINC001205872948 1049589272 /nfs/dbraw/zinc/58/92/72/1049589272.db2.gz WQNBHOQMIPCBTC-VFNWGFHPSA-N 2 1 304.437 4.162 20 5 DIBDMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1[NH3+] ZINC001206043863 1049638891 /nfs/dbraw/zinc/63/88/91/1049638891.db2.gz WQNBHOQMIPCBTC-QVKFZJNVSA-N 2 1 304.437 4.162 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282085 1052473793 /nfs/dbraw/zinc/47/37/93/1052473793.db2.gz FQOUENQIWCSMLH-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCC[C@]2(CC[NH2+]2)C1 ZINC001222282085 1052473796 /nfs/dbraw/zinc/47/37/96/1052473796.db2.gz FQOUENQIWCSMLH-QFIPXVFZSA-N 2 1 316.448 4.321 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235274016 1054698213 /nfs/dbraw/zinc/69/82/13/1054698213.db2.gz SZRMRBGKCKXZAF-XMSQKQJNSA-N 2 1 316.448 4.177 20 5 DIBDMP C[N@@H+](CCC[NH3+])Cc1ccc2ccc3cccc4ccc1c2c34 ZINC001235435179 1054722366 /nfs/dbraw/zinc/72/23/66/1054722366.db2.gz BSXDEPDBXDXGCD-UHFFFAOYSA-N 2 1 302.421 4.365 20 5 DIBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c3ccccc3cc3ccccc32)C1 ZINC000731041656 1057733285 /nfs/dbraw/zinc/73/32/85/1057733285.db2.gz MWQHCGWZPMZYFV-KRWDZBQOSA-N 2 1 318.464 4.424 20 5 DIBDMP [NH3+][C@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC1 ZINC001205110627 1049381674 /nfs/dbraw/zinc/38/16/74/1049381674.db2.gz XGSUUZGICSWDJC-SFHVURJKSA-N 2 1 304.437 4.306 20 5 DIBDMP C[C@@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC001210496164 1050267841 /nfs/dbraw/zinc/26/78/41/1050267841.db2.gz FRUYTICVJFSEDX-MRXNPFEDSA-N 2 1 304.437 4.177 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235274013 1054697208 /nfs/dbraw/zinc/69/72/08/1054697208.db2.gz SZRMRBGKCKXZAF-PGRDOPGGSA-N 2 1 316.448 4.177 20 5 DIBDMP [NH3+]C[C@H]1CC[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C1 ZINC001235750263 1054797141 /nfs/dbraw/zinc/79/71/41/1054797141.db2.gz NWZAESKABUZCBU-CQSZACIVSA-N 2 1 324.855 4.427 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235939904 1054858565 /nfs/dbraw/zinc/85/85/65/1054858565.db2.gz RAFLUTHVJGZTEA-RTBURBONSA-N 2 1 316.448 4.034 20 5 DIBDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001236170332 1054978265 /nfs/dbraw/zinc/97/82/65/1054978265.db2.gz UZPRALRWTVPGCO-GOSISDBHSA-N 2 1 300.405 4.117 20 5 DIBDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C1 ZINC001236170332 1054978275 /nfs/dbraw/zinc/97/82/75/1054978275.db2.gz UZPRALRWTVPGCO-GOSISDBHSA-N 2 1 300.405 4.117 20 5 DIBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000531984187 334359024 /nfs/dbraw/zinc/35/90/24/334359024.db2.gz HTSFQCFWUYWJHI-INIZCTEOSA-N 2 1 321.465 4.063 20 5 DIBDMP C[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)C[C@H]1C[NH3+] ZINC001205140546 1049392521 /nfs/dbraw/zinc/39/25/21/1049392521.db2.gz MWWOACVGXWEVIG-MAUKXSAKSA-N 2 1 304.437 4.020 20 5 DIBDMP C[C@@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1[NH3+] ZINC001206053080 1049641255 /nfs/dbraw/zinc/64/12/55/1049641255.db2.gz IFVRLKOACXPORI-JLTOFOAXSA-N 2 1 314.432 4.363 20 5 DIBDMP C[C@@H]1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1[NH3+] ZINC001206053080 1049641261 /nfs/dbraw/zinc/64/12/61/1049641261.db2.gz IFVRLKOACXPORI-JLTOFOAXSA-N 2 1 314.432 4.363 20 5 DIBDMP C[C@H]1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CC[NH2+]1 ZINC001210496163 1050266932 /nfs/dbraw/zinc/26/69/32/1050266932.db2.gz FRUYTICVJFSEDX-INIZCTEOSA-N 2 1 304.437 4.177 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016180 1054641293 /nfs/dbraw/zinc/64/12/93/1054641293.db2.gz CUYQEUKQQZRNPS-KSFYIVLOSA-N 2 1 316.448 4.177 20 5 DIBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016180 1054641296 /nfs/dbraw/zinc/64/12/96/1054641296.db2.gz CUYQEUKQQZRNPS-KSFYIVLOSA-N 2 1 316.448 4.177 20 5 DIBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001236606072 1055204075 /nfs/dbraw/zinc/20/40/75/1055204075.db2.gz ZBHJEMAXVDQARX-OAQYLSRUSA-N 2 1 304.437 4.164 20 5 DIBDMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c4ccccc4cc4ccccc43)C[C@H]12 ZINC001236828902 1055280986 /nfs/dbraw/zinc/28/09/86/1055280986.db2.gz JKAWOLQVMKWRBX-RBDMOPTHSA-N 2 1 316.448 4.162 20 5 DIBDMP