smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050443945 517376015 /nfs/dbraw/zinc/37/60/15/517376015.db2.gz YDSPCVZCSFWPNT-UHFFFAOYSA-N 1 0 298.814 4.553 20 5 CJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072879369 333964532 /nfs/dbraw/zinc/96/45/32/333964532.db2.gz ZTYREXHTJRJHNF-KBXCAEBGSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000072879370 333964494 /nfs/dbraw/zinc/96/44/94/333964494.db2.gz ZTYREXHTJRJHNF-KDOFPFPSSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078972143 334144345 /nfs/dbraw/zinc/14/43/45/334144345.db2.gz DMRNYGKLWJUHNR-KSSFIOAISA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078972145 334144373 /nfs/dbraw/zinc/14/43/73/334144373.db2.gz DMRNYGKLWJUHNR-KBXCAEBGSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078972150 334144340 /nfs/dbraw/zinc/14/43/40/334144340.db2.gz DMRNYGKLWJUHNR-KDOFPFPSSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078972157 334144313 /nfs/dbraw/zinc/14/43/13/334144313.db2.gz DMRNYGKLWJUHNR-RDTXWAMCSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000078972172 334144335 /nfs/dbraw/zinc/14/43/35/334144335.db2.gz MZECCGXLGBTQAL-KSSFIOAISA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000078972180 334144358 /nfs/dbraw/zinc/14/43/58/334144358.db2.gz MZECCGXLGBTQAL-KBXCAEBGSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000078972185 334144446 /nfs/dbraw/zinc/14/44/46/334144446.db2.gz MZECCGXLGBTQAL-KDOFPFPSSA-N 1 0 298.386 4.643 20 5 CJBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000078972188 334144472 /nfs/dbraw/zinc/14/44/72/334144472.db2.gz MZECCGXLGBTQAL-RDTXWAMCSA-N 1 0 298.386 4.643 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000119635664 330378106 /nfs/dbraw/zinc/37/81/06/330378106.db2.gz MOWXEHWNAXNVIX-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000119635823 330378146 /nfs/dbraw/zinc/37/81/46/330378146.db2.gz MOWXEHWNAXNVIX-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000119636000 330378113 /nfs/dbraw/zinc/37/81/13/330378113.db2.gz MOWXEHWNAXNVIX-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000119636164 330378089 /nfs/dbraw/zinc/37/80/89/330378089.db2.gz MOWXEHWNAXNVIX-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000130902013 333888200 /nfs/dbraw/zinc/88/82/00/333888200.db2.gz ZIEMHWUYLOUZSA-YOEHRIQHSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000130902259 333888318 /nfs/dbraw/zinc/88/83/18/333888318.db2.gz ZIEMHWUYLOUZSA-WMLDXEAASA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 ZINC000130902669 333888289 /nfs/dbraw/zinc/88/82/89/333888289.db2.gz ZIEMHWUYLOUZSA-RHSMWYFYSA-N 1 0 298.386 4.705 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000165903979 327995278 /nfs/dbraw/zinc/99/52/78/327995278.db2.gz ZILWFFWROUXUMN-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000165904104 334903617 /nfs/dbraw/zinc/90/36/17/334903617.db2.gz ZILWFFWROUXUMN-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1C ZINC000178656856 335443694 /nfs/dbraw/zinc/44/36/94/335443694.db2.gz DLNKZSKFZHPTAH-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000178684552 327736853 /nfs/dbraw/zinc/73/68/53/327736853.db2.gz CFXISULXTIIKQI-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000193900571 329062583 /nfs/dbraw/zinc/06/25/83/329062583.db2.gz LZFSFJNXXDBADP-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000193900584 329062757 /nfs/dbraw/zinc/06/27/57/329062757.db2.gz LZFSFJNXXDBADP-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000193900599 329062735 /nfs/dbraw/zinc/06/27/35/329062735.db2.gz LZFSFJNXXDBADP-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000193900615 329062556 /nfs/dbraw/zinc/06/25/56/329062556.db2.gz LZFSFJNXXDBADP-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000193901101 329062687 /nfs/dbraw/zinc/06/26/87/329062687.db2.gz OWRKNNLQPFPEOL-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000193901114 329062727 /nfs/dbraw/zinc/06/27/27/329062727.db2.gz OWRKNNLQPFPEOL-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000193901130 329062744 /nfs/dbraw/zinc/06/27/44/329062744.db2.gz OWRKNNLQPFPEOL-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000193901141 329062723 /nfs/dbraw/zinc/06/27/23/329062723.db2.gz OWRKNNLQPFPEOL-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195656556 331179707 /nfs/dbraw/zinc/17/97/07/331179707.db2.gz OKUQILKZWHFWNK-KBXCAEBGSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195656558 331179688 /nfs/dbraw/zinc/17/96/88/331179688.db2.gz OKUQILKZWHFWNK-KSSFIOAISA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195656560 331179755 /nfs/dbraw/zinc/17/97/55/331179755.db2.gz OKUQILKZWHFWNK-RDTXWAMCSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195656561 331179748 /nfs/dbraw/zinc/17/97/48/331179748.db2.gz OKUQILKZWHFWNK-KDOFPFPSSA-N 1 0 298.386 4.705 20 5 CJBDRO CCC[C@@H]([NH2+]Cc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000314640070 265173645 /nfs/dbraw/zinc/17/36/45/265173645.db2.gz FDEWQTGPKZTDOU-GOSISDBHSA-N 1 0 298.386 4.534 20 5 CJBDRO CCC[C@H]([NH2+]Cc1ccccc1C)c1cccc([N+](=O)[O-])c1 ZINC000314640076 265172963 /nfs/dbraw/zinc/17/29/63/265172963.db2.gz FDEWQTGPKZTDOU-SFHVURJKSA-N 1 0 298.386 4.534 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000314678194 265176328 /nfs/dbraw/zinc/17/63/28/265176328.db2.gz KCMDKFLOOJAYFL-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000314678198 265176382 /nfs/dbraw/zinc/17/63/82/265176382.db2.gz KCMDKFLOOJAYFL-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000315235220 330472861 /nfs/dbraw/zinc/47/28/61/330472861.db2.gz SCRXXVAFHMJMPD-MSOLQXFVSA-N 1 0 298.386 4.787 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000315361848 330474879 /nfs/dbraw/zinc/47/48/79/330474879.db2.gz AZSLWIHVZGPOPG-YOEHRIQHSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000315580791 330477701 /nfs/dbraw/zinc/47/77/01/330477701.db2.gz QPOMMTNZMHAKBG-KBXCAEBGSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000315580795 330477765 /nfs/dbraw/zinc/47/77/65/330477765.db2.gz QPOMMTNZMHAKBG-KSSFIOAISA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000315580798 517776825 /nfs/dbraw/zinc/77/68/25/517776825.db2.gz QPOMMTNZMHAKBG-RDTXWAMCSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000315751111 333383438 /nfs/dbraw/zinc/38/34/38/333383438.db2.gz HQQYILLVHLKLDT-KBXCAEBGSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000315751115 333383570 /nfs/dbraw/zinc/38/35/70/333383570.db2.gz HQQYILLVHLKLDT-KDOFPFPSSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000315751119 333383518 /nfs/dbraw/zinc/38/35/18/333383518.db2.gz HQQYILLVHLKLDT-KSSFIOAISA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(C)cc1 ZINC000315751123 333383461 /nfs/dbraw/zinc/38/34/61/333383461.db2.gz HQQYILLVHLKLDT-RDTXWAMCSA-N 1 0 298.386 4.705 20 5 CJBDRO CCC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000315785692 333383723 /nfs/dbraw/zinc/38/37/23/333383723.db2.gz XLFVSMXVOBMYME-KBXCAEBGSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000315785694 333383662 /nfs/dbraw/zinc/38/36/62/333383662.db2.gz XLFVSMXVOBMYME-KDOFPFPSSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000315785696 333383786 /nfs/dbraw/zinc/38/37/86/333383786.db2.gz XLFVSMXVOBMYME-KSSFIOAISA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000315785697 333383767 /nfs/dbraw/zinc/38/37/67/333383767.db2.gz XLFVSMXVOBMYME-RDTXWAMCSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315850128 333384214 /nfs/dbraw/zinc/38/42/14/333384214.db2.gz LMCOYQVJMFUMCK-KBXCAEBGSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315850129 333384199 /nfs/dbraw/zinc/38/41/99/333384199.db2.gz LMCOYQVJMFUMCK-KDOFPFPSSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315850130 333384257 /nfs/dbraw/zinc/38/42/57/333384257.db2.gz LMCOYQVJMFUMCK-KSSFIOAISA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000315850131 333384149 /nfs/dbraw/zinc/38/41/49/333384149.db2.gz LMCOYQVJMFUMCK-RDTXWAMCSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000318317920 260975667 /nfs/dbraw/zinc/97/56/67/260975667.db2.gz RUZZAQVECRMWKW-KRWDZBQOSA-N 1 0 298.386 4.534 20 5 CJBDRO CCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000318317921 260975650 /nfs/dbraw/zinc/97/56/50/260975650.db2.gz RUZZAQVECRMWKW-QGZVFWFLSA-N 1 0 298.386 4.534 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000320749375 265027613 /nfs/dbraw/zinc/02/76/13/265027613.db2.gz VUQCWRLOZCXNLA-KBXCAEBGSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000320749377 265027673 /nfs/dbraw/zinc/02/76/73/265027673.db2.gz VUQCWRLOZCXNLA-KDOFPFPSSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000320749379 265027684 /nfs/dbraw/zinc/02/76/84/265027684.db2.gz VUQCWRLOZCXNLA-KSSFIOAISA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000320749380 265027500 /nfs/dbraw/zinc/02/75/00/265027500.db2.gz VUQCWRLOZCXNLA-RDTXWAMCSA-N 1 0 298.386 4.705 20 5 CJBDRO CCC[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000386175146 336167520 /nfs/dbraw/zinc/16/75/20/336167520.db2.gz FEPNJZDKRXLYMM-KBXCAEBGSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000386175147 336167540 /nfs/dbraw/zinc/16/75/40/336167540.db2.gz FEPNJZDKRXLYMM-KDOFPFPSSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@H]([NH2+][C@@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000386175150 336167656 /nfs/dbraw/zinc/16/76/56/336167656.db2.gz FEPNJZDKRXLYMM-KSSFIOAISA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@@H]([NH2+][C@H](C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000386175151 336167489 /nfs/dbraw/zinc/16/74/89/336167489.db2.gz FEPNJZDKRXLYMM-RDTXWAMCSA-N 1 0 298.386 4.787 20 5 CJBDRO CCC[C@@H]([NH2+]Cc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000386222907 336168717 /nfs/dbraw/zinc/16/87/17/336168717.db2.gz OUUCZMQDJPQDDZ-GOSISDBHSA-N 1 0 298.386 4.534 20 5 CJBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000387421625 336193715 /nfs/dbraw/zinc/19/37/15/336193715.db2.gz GHTKZWKSZYGYMV-AWEZNQCLSA-N 1 0 298.386 4.569 20 5 CJBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000387421635 336193541 /nfs/dbraw/zinc/19/35/41/336193541.db2.gz GHTKZWKSZYGYMV-CQSZACIVSA-N 1 0 298.386 4.569 20 5 CJBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000414219582 328153398 /nfs/dbraw/zinc/15/33/98/328153398.db2.gz HVJYHEHVCRLORE-PBHICJAKSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000414219585 328153447 /nfs/dbraw/zinc/15/34/47/328153447.db2.gz HVJYHEHVCRLORE-RHSMWYFYSA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000414219587 328153440 /nfs/dbraw/zinc/15/34/40/328153440.db2.gz HVJYHEHVCRLORE-WMLDXEAASA-N 1 0 298.386 4.705 20 5 CJBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)c1ccccc1 ZINC000414219588 328153392 /nfs/dbraw/zinc/15/33/92/328153392.db2.gz HVJYHEHVCRLORE-YOEHRIQHSA-N 1 0 298.386 4.705 20 5 CJBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000452090982 331053798 /nfs/dbraw/zinc/05/37/98/331053798.db2.gz RHVDLWMMZTXQLH-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000452090985 331053911 /nfs/dbraw/zinc/05/39/11/331053911.db2.gz RHVDLWMMZTXQLH-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000452090986 331053874 /nfs/dbraw/zinc/05/38/74/331053874.db2.gz RHVDLWMMZTXQLH-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000452090987 331053841 /nfs/dbraw/zinc/05/38/41/331053841.db2.gz RHVDLWMMZTXQLH-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453249937 331107566 /nfs/dbraw/zinc/10/75/66/331107566.db2.gz WKXFYJFGUNVNAQ-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453249949 331107529 /nfs/dbraw/zinc/10/75/29/331107529.db2.gz WKXFYJFGUNVNAQ-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453410223 331129911 /nfs/dbraw/zinc/12/99/11/331129911.db2.gz WVXYJPJKEAWGNL-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453410225 331129825 /nfs/dbraw/zinc/12/98/25/331129825.db2.gz WVXYJPJKEAWGNL-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453410227 331129870 /nfs/dbraw/zinc/12/98/70/331129870.db2.gz WVXYJPJKEAWGNL-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000453410229 331129797 /nfs/dbraw/zinc/12/97/97/331129797.db2.gz WVXYJPJKEAWGNL-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO CC(C)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000478403280 331705505 /nfs/dbraw/zinc/70/55/05/331705505.db2.gz JBGNFINBYSGDMJ-CQSZACIVSA-N 1 0 298.386 4.569 20 5 CJBDRO CC(C)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000480675004 331783723 /nfs/dbraw/zinc/78/37/23/331783723.db2.gz LLGWANDGESPVRN-AWEZNQCLSA-N 1 0 298.386 4.569 20 5 CJBDRO CC(C)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000480675005 331783895 /nfs/dbraw/zinc/78/38/95/331783895.db2.gz LLGWANDGESPVRN-CQSZACIVSA-N 1 0 298.386 4.569 20 5 CJBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531974719 328364388 /nfs/dbraw/zinc/36/43/88/328364388.db2.gz SJVYYVIYNYLOJZ-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531974720 328364350 /nfs/dbraw/zinc/36/43/50/328364350.db2.gz SJVYYVIYNYLOJZ-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531974721 328364344 /nfs/dbraw/zinc/36/43/44/328364344.db2.gz SJVYYVIYNYLOJZ-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531974722 328364547 /nfs/dbraw/zinc/36/45/47/328364547.db2.gz SJVYYVIYNYLOJZ-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cc(C)cc([C@H](C)[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539295312 333664291 /nfs/dbraw/zinc/66/42/91/333664291.db2.gz JYMNEUGHJSFZAC-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000539295313 333664287 /nfs/dbraw/zinc/66/42/87/333664287.db2.gz JYMNEUGHJSFZAC-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000544896469 333951166 /nfs/dbraw/zinc/95/11/66/333951166.db2.gz FLESWECJLIMZKD-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000544896479 333951182 /nfs/dbraw/zinc/95/11/82/333951182.db2.gz FLESWECJLIMZKD-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000544896480 333951390 /nfs/dbraw/zinc/95/13/90/333951390.db2.gz FLESWECJLIMZKD-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000544896483 333951287 /nfs/dbraw/zinc/95/12/87/333951287.db2.gz FLESWECJLIMZKD-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228254 334020761 /nfs/dbraw/zinc/02/07/61/334020761.db2.gz JJIYGPYQHVTSDR-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228255 334020780 /nfs/dbraw/zinc/02/07/80/334020780.db2.gz JJIYGPYQHVTSDR-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228256 334020758 /nfs/dbraw/zinc/02/07/58/334020758.db2.gz JJIYGPYQHVTSDR-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000546228257 334020878 /nfs/dbraw/zinc/02/08/78/334020878.db2.gz JJIYGPYQHVTSDR-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000546930705 334055764 /nfs/dbraw/zinc/05/57/64/334055764.db2.gz FEJYNIOZQVNCHD-CABCVRRESA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000546930718 334055740 /nfs/dbraw/zinc/05/57/40/334055740.db2.gz FEJYNIOZQVNCHD-GJZGRUSLSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000546930720 334055939 /nfs/dbraw/zinc/05/59/39/334055939.db2.gz FEJYNIOZQVNCHD-HUUCEWRRSA-N 1 0 298.386 4.623 20 5 CJBDRO Cc1cccc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000546930722 334055704 /nfs/dbraw/zinc/05/57/04/334055704.db2.gz FEJYNIOZQVNCHD-LSDHHAIUSA-N 1 0 298.386 4.623 20 5 CJBDRO CCC[N@H+](Cc1ccccc1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552438982 334327602 /nfs/dbraw/zinc/32/76/02/334327602.db2.gz RPEHZLWSBDBKMG-HNNXBMFYSA-N 1 0 298.386 4.568 20 5 CJBDRO CCC[N@H+](Cc1ccccc1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000552438983 334327561 /nfs/dbraw/zinc/32/75/61/334327561.db2.gz RPEHZLWSBDBKMG-OAHLLOKOSA-N 1 0 298.386 4.568 20 5 CJBDRO