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)[N@H+](C)Cc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684933 719619818 /nfs/dbraw/zinc/61/98/18/719619818.db2.gz YZOAIUVYZRHJAF-UHFFFAOYSA-N 2 1 399.282 2.968 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684933 719619830 /nfs/dbraw/zinc/61/98/30/719619830.db2.gz YZOAIUVYZRHJAF-UHFFFAOYSA-N 2 1 399.282 2.968 20 5 GFBDMP O=[N+]([O-])c1sc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000602550018 565854682 /nfs/dbraw/zinc/85/46/82/565854682.db2.gz IAECSNISXPNVDB-LLVKDONJSA-N 2 1 392.319 2.745 20 5 GFBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863651974 662342639 /nfs/dbraw/zinc/34/26/39/662342639.db2.gz NMXJVJNEQVNURF-CQSZACIVSA-N 2 1 398.301 2.948 20 5 GFBDMP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925763628 664674582 /nfs/dbraw/zinc/67/45/82/664674582.db2.gz SUQPIKFAIZJZCZ-QLFBSQMISA-N 2 1 384.274 2.604 20 5 GFBDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1(C)C ZINC000602658345 565861362 /nfs/dbraw/zinc/86/13/62/565861362.db2.gz UWJCZDTWDGKZNB-UHFFFAOYSA-N 2 1 391.335 2.534 20 5 GFBDMP O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000923378175 664629187 /nfs/dbraw/zinc/62/91/87/664629187.db2.gz RNDJPWIGEFZTPH-ZBFHGGJFSA-N 2 1 396.285 2.558 20 5 GFBDMP O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000923378175 664629188 /nfs/dbraw/zinc/62/91/88/664629188.db2.gz RNDJPWIGEFZTPH-ZBFHGGJFSA-N 2 1 396.285 2.558 20 5 GFBDMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000923438625 664630572 /nfs/dbraw/zinc/63/05/72/664630572.db2.gz ASSXUKOZHUZISZ-AWEZNQCLSA-N 2 1 384.274 2.687 20 5 GFBDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253356 564630260 /nfs/dbraw/zinc/63/02/60/564630260.db2.gz JPKGKXMFFCTVBJ-LLVKDONJSA-N 2 1 389.237 2.631 20 5 GFBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253356 564630266 /nfs/dbraw/zinc/63/02/66/564630266.db2.gz JPKGKXMFFCTVBJ-LLVKDONJSA-N 2 1 389.237 2.631 20 5 GFBDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978086 564780262 /nfs/dbraw/zinc/78/02/62/564780262.db2.gz FQNBLLBJPIROTA-LLVKDONJSA-N 2 1 389.237 2.631 20 5 GFBDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978086 564780268 /nfs/dbraw/zinc/78/02/68/564780268.db2.gz FQNBLLBJPIROTA-LLVKDONJSA-N 2 1 389.237 2.631 20 5 GFBDMP Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683872 719617506 /nfs/dbraw/zinc/61/75/06/719617506.db2.gz LBFBYAYJTFFLLP-UHFFFAOYSA-N 2 1 378.864 2.623 20 5 GFBDMP Cc1cc(Cl)c([N+](=O)[O-])c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164683872 719617512 /nfs/dbraw/zinc/61/75/12/719617512.db2.gz LBFBYAYJTFFLLP-UHFFFAOYSA-N 2 1 378.864 2.623 20 5 GFBDMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000289498415 563676560 /nfs/dbraw/zinc/67/65/60/563676560.db2.gz LTVTZGGNSAZCTN-UHFFFAOYSA-N 2 1 387.221 2.551 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2nccc3cc([N+](=O)[O-])ccc32)c2c1CC[NH2+]C2 ZINC001164683508 719652392 /nfs/dbraw/zinc/65/23/92/719652392.db2.gz VQEJDACZWFSKFT-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3cc([N+](=O)[O-])ccc32)c2c1CC[NH2+]C2 ZINC001164683508 719652395 /nfs/dbraw/zinc/65/23/95/719652395.db2.gz VQEJDACZWFSKFT-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2nccc3ccc([N+](=O)[O-])cc32)c2c1CC[NH2+]C2 ZINC001164679648 719634164 /nfs/dbraw/zinc/63/41/64/719634164.db2.gz KCYDIPMDLDECEM-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3ccc([N+](=O)[O-])cc32)c2c1CC[NH2+]C2 ZINC001164679648 719634171 /nfs/dbraw/zinc/63/41/71/719634171.db2.gz KCYDIPMDLDECEM-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000580016004 655506768 /nfs/dbraw/zinc/50/67/68/655506768.db2.gz LMRBJNUNTXZYOE-UHFFFAOYSA-N 2 1 391.253 2.877 20 5 GFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000863573607 662336878 /nfs/dbraw/zinc/33/68/78/662336878.db2.gz BOLIDUJVZIVFEU-HNNXBMFYSA-N 2 1 398.301 2.948 20 5 GFBDMP Cc1c(Br)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361540 565521110 /nfs/dbraw/zinc/52/11/10/565521110.db2.gz VQEOBSVBEJUINR-NSHDSACASA-N 2 1 388.310 2.745 20 5 GFBDMP Cc1c(Br)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000596361540 565521114 /nfs/dbraw/zinc/52/11/14/565521114.db2.gz VQEOBSVBEJUINR-NSHDSACASA-N 2 1 388.310 2.745 20 5 GFBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728771 720432798 /nfs/dbraw/zinc/43/27/98/720432798.db2.gz GIMLQFSXXCBNJF-RJOCJTBNSA-N 2 1 394.479 2.770 20 5 GFBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728771 720432803 /nfs/dbraw/zinc/43/28/03/720432803.db2.gz GIMLQFSXXCBNJF-RJOCJTBNSA-N 2 1 394.479 2.770 20 5 GFBDMP CN(CCC[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000425458519 563423740 /nfs/dbraw/zinc/42/37/40/563423740.db2.gz MWITUGJBZSDNPD-UHFFFAOYSA-N 2 1 387.322 2.673 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681284 719618750 /nfs/dbraw/zinc/61/87/50/719618750.db2.gz FXGQOZRAXQVAKM-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3c(cccc3[N+](=O)[O-])n2)c2c1CC[NH2+]C2 ZINC001164681284 719618759 /nfs/dbraw/zinc/61/87/59/719618759.db2.gz FXGQOZRAXQVAKM-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863651972 662342509 /nfs/dbraw/zinc/34/25/09/662342509.db2.gz NMXJVJNEQVNURF-AWEZNQCLSA-N 2 1 398.301 2.948 20 5 GFBDMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1Br)CC2 ZINC000923438626 664630563 /nfs/dbraw/zinc/63/05/63/664630563.db2.gz ASSXUKOZHUZISZ-CQSZACIVSA-N 2 1 384.274 2.687 20 5 GFBDMP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925763644 664674566 /nfs/dbraw/zinc/67/45/66/664674566.db2.gz SUQPIKFAIZJZCZ-SOUVJXGZSA-N 2 1 384.274 2.604 20 5 GFBDMP O=[N+]([O-])c1cc(I)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000581696237 564814842 /nfs/dbraw/zinc/81/48/42/564814842.db2.gz ZPSBOBUMGVVNGM-UHFFFAOYSA-N 2 1 389.237 2.775 20 5 GFBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000843125429 661370296 /nfs/dbraw/zinc/37/02/96/661370296.db2.gz WFHKDGDAZUHMBY-ZBFHGGJFSA-N 2 1 384.274 2.686 20 5 GFBDMP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925763639 664674564 /nfs/dbraw/zinc/67/45/64/664674564.db2.gz SUQPIKFAIZJZCZ-RRFJBIMHSA-N 2 1 384.274 2.604 20 5 GFBDMP C[NH+]1CCC(N2CCC(Nc3ncc(Br)cc3[N+](=O)[O-])CC2)CC1 ZINC000268520403 654976006 /nfs/dbraw/zinc/97/60/06/654976006.db2.gz ZVSHKCRTNIPRSJ-UHFFFAOYSA-N 2 1 398.305 2.723 20 5 GFBDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000872743901 662787650 /nfs/dbraw/zinc/78/76/50/662787650.db2.gz LVOUORLJUSQEDN-UHFFFAOYSA-N 2 1 388.310 2.811 20 5 GFBDMP O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923408380 664630056 /nfs/dbraw/zinc/63/00/56/664630056.db2.gz CKJVRDPSAHETHC-MRXNPFEDSA-N 2 1 398.301 2.948 20 5 GFBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728767 720431449 /nfs/dbraw/zinc/43/14/49/720431449.db2.gz GIMLQFSXXCBNJF-GBSQEQHRSA-N 2 1 394.479 2.770 20 5 GFBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728767 720431458 /nfs/dbraw/zinc/43/14/58/720431458.db2.gz GIMLQFSXXCBNJF-GBSQEQHRSA-N 2 1 394.479 2.770 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2ncc([N+](=O)[O-])c3ccccc32)c2c1CC[NH2+]C2 ZINC001164681601 719618924 /nfs/dbraw/zinc/61/89/24/719618924.db2.gz ITFMGUDLOKMGMY-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc([N+](=O)[O-])c3ccccc32)c2c1CC[NH2+]C2 ZINC001164681601 719618931 /nfs/dbraw/zinc/61/89/31/719618931.db2.gz ITFMGUDLOKMGMY-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728766 720432241 /nfs/dbraw/zinc/43/22/41/720432241.db2.gz GIMLQFSXXCBNJF-CVLYKSAASA-N 2 1 394.479 2.770 20 5 GFBDMP C[NH+](C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728766 720432247 /nfs/dbraw/zinc/43/22/47/720432247.db2.gz GIMLQFSXXCBNJF-CVLYKSAASA-N 2 1 394.479 2.770 20 5 GFBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000843124604 661370392 /nfs/dbraw/zinc/37/03/92/661370392.db2.gz CYGWAGNUYIICNC-ZBFHGGJFSA-N 2 1 384.274 2.686 20 5 GFBDMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602510051 565852932 /nfs/dbraw/zinc/85/29/32/565852932.db2.gz IQQVGWRDGQWCRW-UHFFFAOYSA-N 2 1 391.335 2.536 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2nc3ccccc3cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684760 719629515 /nfs/dbraw/zinc/62/95/15/719629515.db2.gz XJCPKRMLALCGRP-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2nc3ccccc3cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684760 719629524 /nfs/dbraw/zinc/62/95/24/719629524.db2.gz XJCPKRMLALCGRP-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728769 720431481 /nfs/dbraw/zinc/43/14/81/720431481.db2.gz GIMLQFSXXCBNJF-OELZETHLSA-N 2 1 394.479 2.770 20 5 GFBDMP C[NH+](C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728769 720431484 /nfs/dbraw/zinc/43/14/84/720431484.db2.gz GIMLQFSXXCBNJF-OELZETHLSA-N 2 1 394.479 2.770 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685808 719612155 /nfs/dbraw/zinc/61/21/55/719612155.db2.gz WIEVOSYIJINOQZ-UHFFFAOYSA-N 2 1 399.282 2.968 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164685808 719612168 /nfs/dbraw/zinc/61/21/68/719612168.db2.gz WIEVOSYIJINOQZ-UHFFFAOYSA-N 2 1 399.282 2.968 20 5 GFBDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978087 564780086 /nfs/dbraw/zinc/78/00/86/564780086.db2.gz FQNBLLBJPIROTA-NSHDSACASA-N 2 1 389.237 2.631 20 5 GFBDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978087 564780091 /nfs/dbraw/zinc/78/00/91/564780091.db2.gz FQNBLLBJPIROTA-NSHDSACASA-N 2 1 389.237 2.631 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164683614 719620055 /nfs/dbraw/zinc/62/00/55/719620055.db2.gz UCYQMZKBWTVMOQ-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cccc([N+](=O)[O-])c3n2)c2c1CC[NH2+]C2 ZINC001164683614 719620061 /nfs/dbraw/zinc/62/00/61/719620061.db2.gz UCYQMZKBWTVMOQ-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CN(CCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000808781407 659905731 /nfs/dbraw/zinc/90/57/31/659905731.db2.gz DZFNYKFKRKBCEW-UHFFFAOYSA-N 2 1 387.322 2.673 20 5 GFBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000923361720 664628908 /nfs/dbraw/zinc/62/89/08/664628908.db2.gz LPZLIDFZGFGFMM-CVEARBPZSA-N 2 1 384.274 2.686 20 5 GFBDMP O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925763635 664674588 /nfs/dbraw/zinc/67/45/88/664674588.db2.gz SUQPIKFAIZJZCZ-RBSFLKMASA-N 2 1 384.274 2.604 20 5 GFBDMP O=[N+]([O-])c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000863573608 662336869 /nfs/dbraw/zinc/33/68/69/662336869.db2.gz BOLIDUJVZIVFEU-OAHLLOKOSA-N 2 1 398.301 2.948 20 5 GFBDMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000923449542 664630779 /nfs/dbraw/zinc/63/07/79/664630779.db2.gz AFKDUIHQLAEZSK-CYBMUJFWSA-N 2 1 384.274 2.687 20 5 GFBDMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000283293576 563440840 /nfs/dbraw/zinc/44/08/40/563440840.db2.gz YAWNTBAFXGZOJT-UHFFFAOYSA-N 2 1 399.333 2.815 20 5 GFBDMP CC(C)[N@H+](C)Cc1nn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2c1CC[NH2+]C2 ZINC001164682435 719617641 /nfs/dbraw/zinc/61/76/41/719617641.db2.gz CZTRSOUBQWRJKH-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3ccc([N+](=O)[O-])cc3n2)c2c1CC[NH2+]C2 ZINC001164682435 719617642 /nfs/dbraw/zinc/61/76/42/719617642.db2.gz CZTRSOUBQWRJKH-UHFFFAOYSA-N 2 1 380.452 2.815 20 5 GFBDMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000903787705 663807066 /nfs/dbraw/zinc/80/70/66/663807066.db2.gz YMALNUAOOAGUCL-LBPRGKRZSA-N 2 1 384.274 2.687 20 5 GFBDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000894374949 663458993 /nfs/dbraw/zinc/45/89/93/663458993.db2.gz HNKNJSGLZRYJCD-UHFFFAOYSA-N 2 1 391.335 2.536 20 5 GFBDMP O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000923408379 664630050 /nfs/dbraw/zinc/63/00/50/664630050.db2.gz CKJVRDPSAHETHC-INIZCTEOSA-N 2 1 398.301 2.948 20 5 GFBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855346950 661987363 /nfs/dbraw/zinc/98/73/63/661987363.db2.gz PQBGWTYIOYNRCK-NSHDSACASA-N 2 1 391.299 2.903 20 5 GFBDMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000903787702 663807082 /nfs/dbraw/zinc/80/70/82/663807082.db2.gz YMALNUAOOAGUCL-GFCCVEGCSA-N 2 1 384.274 2.687 20 5 GFBDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253357 564629909 /nfs/dbraw/zinc/62/99/09/564629909.db2.gz JPKGKXMFFCTVBJ-NSHDSACASA-N 2 1 389.237 2.631 20 5 GFBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253357 564629911 /nfs/dbraw/zinc/62/99/11/564629911.db2.gz JPKGKXMFFCTVBJ-NSHDSACASA-N 2 1 389.237 2.631 20 5 GFBDMP Cc1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164684309 719613907 /nfs/dbraw/zinc/61/39/07/719613907.db2.gz OLDHDWYZATVRPT-UHFFFAOYSA-N 2 1 378.864 2.623 20 5 GFBDMP Cc1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164684309 719613917 /nfs/dbraw/zinc/61/39/17/719613917.db2.gz OLDHDWYZATVRPT-UHFFFAOYSA-N 2 1 378.864 2.623 20 5 GFBDMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000923449545 664630762 /nfs/dbraw/zinc/63/07/62/664630762.db2.gz AFKDUIHQLAEZSK-ZDUSSCGKSA-N 2 1 384.274 2.687 20 5 GFBDMP O=[N+]([O-])c1sc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000602550019 565854860 /nfs/dbraw/zinc/85/48/60/565854860.db2.gz IAECSNISXPNVDB-NSHDSACASA-N 2 1 392.319 2.745 20 5 GFBDMP