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@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000155655251 565070329 /nfs/dbraw/zinc/07/03/29/565070329.db2.gz VDIACYZPLNOWPX-PBHICJAKSA-N 2 0 384.362 3.079 20 10 GGCDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000184976788 565169179 /nfs/dbraw/zinc/16/91/79/565169179.db2.gz YDOLXOIGSSKZCO-WMLDXEAASA-N 2 0 384.362 3.077 20 10 GGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185345649 565197112 /nfs/dbraw/zinc/19/71/12/565197112.db2.gz JFRRSVCXTWBHCJ-GJZGRUSLSA-N 2 0 384.362 3.079 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000185491359 565204298 /nfs/dbraw/zinc/20/42/98/565204298.db2.gz NAHOFYGGVCARSM-UONOGXRCSA-N 2 0 383.330 3.306 20 10 GGCDRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O ZINC000373459115 565286983 /nfs/dbraw/zinc/28/69/83/565286983.db2.gz DDHXQCZJDDMBPF-QAPCUYQASA-N 2 0 396.373 3.364 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1O ZINC000187168159 565314916 /nfs/dbraw/zinc/31/49/16/565314916.db2.gz VXIFQBKDDMRMPC-HNNXBMFYSA-N 2 0 384.362 3.141 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000273534250 565324873 /nfs/dbraw/zinc/32/48/73/565324873.db2.gz WXLZRCCQKHURNH-ULFGMLNVSA-N 2 0 383.330 3.183 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000364467854 566052879 /nfs/dbraw/zinc/05/28/79/566052879.db2.gz OJKCFDNLQHVGCX-ZBFHGGJFSA-N 2 0 396.373 3.282 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000364467852 566053008 /nfs/dbraw/zinc/05/30/08/566053008.db2.gz OJKCFDNLQHVGCX-GOEBONIOSA-N 2 0 396.373 3.282 20 10 GGCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000105467123 1411069651 /nfs/dbraw/zinc/06/96/51/1411069651.db2.gz FHAFONRLEDWUTP-NRFANRHFSA-N 2 0 380.580 3.439 20 10 GGCDRP Oc1cc2c(cc1C[NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)OCO2 ZINC000176985487 1428541253 /nfs/dbraw/zinc/54/12/53/1428541253.db2.gz SIMIJNVPZMOVSR-UHFFFAOYSA-N 2 0 398.503 3.282 20 10 GGCDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3O)c2)C1 ZINC000108420593 1411496647 /nfs/dbraw/zinc/49/66/47/1411496647.db2.gz RMHHCLXXCAWFCB-KRWDZBQOSA-N 2 0 387.911 3.033 20 10 GGCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000122102694 1414363201 /nfs/dbraw/zinc/36/32/01/1414363201.db2.gz XQOCVIXKJWRWEV-UHFFFAOYSA-N 2 0 380.504 3.304 20 10 GGCDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000128087920 1415909336 /nfs/dbraw/zinc/90/93/36/1415909336.db2.gz DDEFSDWKQDOYOB-FPOVZHCZSA-N 2 0 386.584 3.305 20 10 GGCDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000155583405 1423431235 /nfs/dbraw/zinc/43/12/35/1423431235.db2.gz FFAZMIDROGSNGL-RTBURBONSA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000156905295 1423883745 /nfs/dbraw/zinc/88/37/45/1423883745.db2.gz GAFFZSHXLVHYQG-AVRDEDQJSA-N 2 0 394.563 3.301 20 10 GGCDRP CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000161248947 1424670395 /nfs/dbraw/zinc/67/03/95/1424670395.db2.gz OQYWIEPVVOZGQT-JOCHJYFZSA-N 2 0 382.552 3.285 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000184968868 1431033477 /nfs/dbraw/zinc/03/34/77/1431033477.db2.gz AMHUXFRJUREJAW-KRWDZBQOSA-N 2 0 380.536 3.269 20 10 GGCDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC000185042296 1431047569 /nfs/dbraw/zinc/04/75/69/1431047569.db2.gz BLWUXEXTMFUSGN-KRWDZBQOSA-N 2 0 380.536 3.269 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2F)CC1 ZINC000245873355 1433530944 /nfs/dbraw/zinc/53/09/44/1433530944.db2.gz JUGYCHWMWPHBFL-IOMROCGXSA-N 2 0 375.532 3.261 20 10 GGCDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)cn2)CC1 ZINC000263661745 1434017152 /nfs/dbraw/zinc/01/71/52/1434017152.db2.gz HGJYIWMBSPVWKB-UHFFFAOYSA-N 2 0 388.515 3.496 20 10 GGCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000280290659 1435627977 /nfs/dbraw/zinc/62/79/77/1435627977.db2.gz NKRRYESRINVONP-RTBURBONSA-N 2 0 385.474 3.239 20 10 GGCDRP CC(C)[C@@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000184976824 565169696 /nfs/dbraw/zinc/16/96/96/565169696.db2.gz YDOLXOIGSSKZCO-RHSMWYFYSA-N 2 0 384.362 3.077 20 10 GGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185344799 565196830 /nfs/dbraw/zinc/19/68/30/565196830.db2.gz QDYDOCDPTIECFU-LSDHHAIUSA-N 2 0 384.362 3.079 20 10 GGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185345687 565197339 /nfs/dbraw/zinc/19/73/39/565197339.db2.gz JFRRSVCXTWBHCJ-LSDHHAIUSA-N 2 0 384.362 3.079 20 10 GGCDRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O ZINC000373459116 565285964 /nfs/dbraw/zinc/28/59/64/565285964.db2.gz DDHXQCZJDDMBPF-YJBOKZPZSA-N 2 0 396.373 3.364 20 10 GGCDRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O ZINC000373459114 565286971 /nfs/dbraw/zinc/28/69/71/565286971.db2.gz DDHXQCZJDDMBPF-MAUKXSAKSA-N 2 0 396.373 3.364 20 10 GGCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000105467121 1411070250 /nfs/dbraw/zinc/07/02/50/1411070250.db2.gz FHAFONRLEDWUTP-OAQYLSRUSA-N 2 0 380.580 3.439 20 10 GGCDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cc(Cl)ccc3O)c2)C1 ZINC000108420596 1411495344 /nfs/dbraw/zinc/49/53/44/1411495344.db2.gz RMHHCLXXCAWFCB-QGZVFWFLSA-N 2 0 387.911 3.033 20 10 GGCDRP COc1ccc(N2CCN(CCC[NH2+]Cc3c[nH]nc3C(C)(C)C)CC2)cc1 ZINC000120863380 1413930320 /nfs/dbraw/zinc/93/03/20/1413930320.db2.gz BXJUYGJGTZYDON-UHFFFAOYSA-N 2 0 385.556 3.018 20 10 GGCDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)cc1 ZINC000123883105 1414842274 /nfs/dbraw/zinc/84/22/74/1414842274.db2.gz RPTLPPLEXLWGEI-UHFFFAOYSA-N 2 0 394.563 3.258 20 10 GGCDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000128262500 1415949957 /nfs/dbraw/zinc/94/99/57/1415949957.db2.gz HUOTVSHDMWNPMQ-LJQANCHMSA-N 2 0 376.564 3.494 20 10 GGCDRP CN(C)c1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1F ZINC000130192192 1416336851 /nfs/dbraw/zinc/33/68/51/1416336851.db2.gz JSEPVAWNZFKVQK-UHFFFAOYSA-N 2 0 398.526 3.007 20 10 GGCDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(N(C)C)cc1 ZINC000156905420 1423883534 /nfs/dbraw/zinc/88/35/34/1423883534.db2.gz GAFFZSHXLVHYQG-GCJKJVERSA-N 2 0 394.563 3.301 20 10 GGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161222243 1424667769 /nfs/dbraw/zinc/66/77/69/1424667769.db2.gz GDEVMSJBKDDNNS-GOSISDBHSA-N 2 0 382.552 3.285 20 10 GGCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cc1 ZINC000161222378 1424667874 /nfs/dbraw/zinc/66/78/74/1424667874.db2.gz GDEVMSJBKDDNNS-SFHVURJKSA-N 2 0 382.552 3.285 20 10 GGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163501198 1425008136 /nfs/dbraw/zinc/00/81/36/1425008136.db2.gz XKHBUJFFTYGWKU-GOSISDBHSA-N 2 0 388.600 3.420 20 10 GGCDRP CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000174101539 1427002550 /nfs/dbraw/zinc/00/25/50/1427002550.db2.gz QVRZIOWMCNOXFX-UHFFFAOYSA-N 2 0 376.541 3.472 20 10 GGCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(OC)ccc3O)cc2)CC1 ZINC000185047048 1431048684 /nfs/dbraw/zinc/04/86/84/1431048684.db2.gz GGPHTBSJQVEUTK-GOSISDBHSA-N 2 0 383.536 3.389 20 10 GGCDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000185322294 1431113338 /nfs/dbraw/zinc/11/33/38/1431113338.db2.gz XSHFAEYLXRWVIV-QGZVFWFLSA-N 2 0 395.547 3.413 20 10 GGCDRP c1ccc(CN2CC[NH+](CCCC[NH2+]Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000236698676 1433376444 /nfs/dbraw/zinc/37/64/44/1433376444.db2.gz JADSFQRJHUYRBW-UHFFFAOYSA-N 2 0 379.548 3.309 20 10 GGCDRP COc1cccc(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1O ZINC000237371338 1433399335 /nfs/dbraw/zinc/39/93/35/1433399335.db2.gz AUSRTBWCKROFOU-UHFFFAOYSA-N 2 0 383.536 3.401 20 10 GGCDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cccc(OC)c2O)cc1OC ZINC000263642422 1434014569 /nfs/dbraw/zinc/01/45/69/1434014569.db2.gz AEBYANWUSUTZOA-UHFFFAOYSA-N 2 0 388.508 3.420 20 10 GGCDRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000263676334 1434019237 /nfs/dbraw/zinc/01/92/37/1434019237.db2.gz LFPKOAWIAUJXMJ-UHFFFAOYSA-N 2 0 388.515 3.496 20 10 GGCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C(F)(F)F)c1 ZINC000280290656 1435627581 /nfs/dbraw/zinc/62/75/81/1435627581.db2.gz NKRRYESRINVONP-RBUKOAKNSA-N 2 0 385.474 3.239 20 10 GGCDRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000155655372 565070238 /nfs/dbraw/zinc/07/02/38/565070238.db2.gz VDIACYZPLNOWPX-RHSMWYFYSA-N 2 0 384.362 3.079 20 10 GGCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185014789 565171750 /nfs/dbraw/zinc/17/17/50/565171750.db2.gz LVYNHNJDLOAFKP-HNNXBMFYSA-N 2 0 384.362 3.223 20 10 GGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185345709 565197434 /nfs/dbraw/zinc/19/74/34/565197434.db2.gz JFRRSVCXTWBHCJ-HUUCEWRRSA-N 2 0 384.362 3.079 20 10 GGCDRP CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186426969 565260861 /nfs/dbraw/zinc/26/08/61/565260861.db2.gz YMHPAPUYLJWEDN-PBHICJAKSA-N 2 0 384.362 3.221 20 10 GGCDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999203 565301535 /nfs/dbraw/zinc/30/15/35/565301535.db2.gz HHGMQISAWWAHRP-OAHLLOKOSA-N 2 0 384.362 3.141 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1O ZINC000187278660 565320475 /nfs/dbraw/zinc/32/04/75/565320475.db2.gz UZSIZPSBOPJGHA-AWEZNQCLSA-N 2 0 384.362 3.140 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000273534246 565325012 /nfs/dbraw/zinc/32/50/12/565325012.db2.gz WXLZRCCQKHURNH-IWEFOYFVSA-N 2 0 383.330 3.183 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000275390132 565407098 /nfs/dbraw/zinc/40/70/98/565407098.db2.gz YSGGTYFNEBRUIX-HUUCEWRRSA-N 2 0 384.362 3.140 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000364467853 566053073 /nfs/dbraw/zinc/05/30/73/566053073.db2.gz OJKCFDNLQHVGCX-HOCLYGCPSA-N 2 0 396.373 3.282 20 10 GGCDRP CCN(C)c1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038806 1410061491 /nfs/dbraw/zinc/06/14/91/1410061491.db2.gz KYEFJCXLOOTIJM-GOSISDBHSA-N 2 0 382.552 3.285 20 10 GGCDRP COc1ccc(N2CCC([NH2+]Cc3ccccc3OCC[NH+](C)C)CC2)cc1 ZINC000122338809 1414427776 /nfs/dbraw/zinc/42/77/76/1414427776.db2.gz BPMLLJCMATZIRM-UHFFFAOYSA-N 2 0 383.536 3.394 20 10 GGCDRP COc1ccc(N2CCN(CCC[NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)cc1 ZINC000178423227 1429074380 /nfs/dbraw/zinc/07/43/80/1429074380.db2.gz PIQXOEIPBFZLOI-UHFFFAOYSA-N 2 0 388.600 3.060 20 10 GGCDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154232011 1422859049 /nfs/dbraw/zinc/85/90/49/1422859049.db2.gz XWTKZMYRTZKYAL-LJQANCHMSA-N 2 0 376.564 3.494 20 10 GGCDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154349703 1422876596 /nfs/dbraw/zinc/87/65/96/1422876596.db2.gz MOLWYPSOKNZIIU-IBGZPJMESA-N 2 0 376.564 3.494 20 10 GGCDRP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1O ZINC000155750641 1423516378 /nfs/dbraw/zinc/51/63/78/1423516378.db2.gz DTKSWICWQAMQQH-FPOVZHCZSA-N 2 0 381.520 3.330 20 10 GGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000157390962 1424001182 /nfs/dbraw/zinc/00/11/82/1424001182.db2.gz XEZVXPHCAWZOCR-XXBNENTESA-N 2 0 389.584 3.391 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000163415903 1424994327 /nfs/dbraw/zinc/99/43/27/1424994327.db2.gz IPGSJMJXWQKHKR-OAHLLOKOSA-N 2 0 385.474 3.362 20 10 GGCDRP CCN(C)c1ccc([C@H](C)[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1 ZINC000163501285 1425008030 /nfs/dbraw/zinc/00/80/30/1425008030.db2.gz XKHBUJFFTYGWKU-SFHVURJKSA-N 2 0 388.600 3.420 20 10 GGCDRP Cc1cccc(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1O ZINC000181917932 1430382992 /nfs/dbraw/zinc/38/29/92/1430382992.db2.gz YZEUURWEIBLNBV-UHFFFAOYSA-N 2 0 384.520 3.480 20 10 GGCDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1O ZINC000185322050 1431113581 /nfs/dbraw/zinc/11/35/81/1431113581.db2.gz LTGDXAROJKQWEG-CQSZACIVSA-N 2 0 375.900 3.188 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc(F)ccc1O ZINC000186056092 1431320822 /nfs/dbraw/zinc/32/08/22/1431320822.db2.gz ORSLGPGNDRCQHU-MRXNPFEDSA-N 2 0 385.483 3.208 20 10 GGCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248499081 1433806059 /nfs/dbraw/zinc/80/60/59/1433806059.db2.gz MOXZNGMDQBAXBN-GCJKJVERSA-N 2 0 383.536 3.430 20 10 GGCDRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(OC)ccc2O)cc1OC ZINC000272052948 1434869042 /nfs/dbraw/zinc/86/90/42/1434869042.db2.gz QRNYNTCKHRIFIM-UHFFFAOYSA-N 2 0 388.508 3.420 20 10 GGCDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185014297 565172083 /nfs/dbraw/zinc/17/20/83/565172083.db2.gz BDJMVEYYTAZOAP-HNNXBMFYSA-N 2 0 384.362 3.223 20 10 GGCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185014316 565172112 /nfs/dbraw/zinc/17/21/12/565172112.db2.gz BDJMVEYYTAZOAP-OAHLLOKOSA-N 2 0 384.362 3.223 20 10 GGCDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185344764 565196188 /nfs/dbraw/zinc/19/61/88/565196188.db2.gz QDYDOCDPTIECFU-GJZGRUSLSA-N 2 0 384.362 3.079 20 10 GGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Br)cc2O)CC1 ZINC000185345671 565197010 /nfs/dbraw/zinc/19/70/10/565197010.db2.gz JFRRSVCXTWBHCJ-CABCVRRESA-N 2 0 384.362 3.079 20 10 GGCDRP Oc1ccc2ccc(O)c(C[NH+]3CCSCC3)c2c1C[NH+]1CCSCC1 ZINC000054543158 1406765740 /nfs/dbraw/zinc/76/57/40/1406765740.db2.gz JWPBIDKOXWWQPE-UHFFFAOYSA-N 2 0 390.574 3.349 20 10 GGCDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000090038691 1410061115 /nfs/dbraw/zinc/06/11/15/1410061115.db2.gz NSVCIMOPWADBFR-JOCHJYFZSA-N 2 0 382.552 3.285 20 10 GGCDRP Oc1ccc(Br)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734884 1410262018 /nfs/dbraw/zinc/26/20/18/1410262018.db2.gz SPMBDSXJMRTYCU-UHFFFAOYSA-N 2 0 383.330 3.232 20 10 GGCDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093769432 1410265307 /nfs/dbraw/zinc/26/53/07/1410265307.db2.gz QQXNKXROBRXMSC-UHFFFAOYSA-N 2 0 389.584 3.094 20 10 GGCDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1)C1CCOCC1 ZINC000102781465 1410751156 /nfs/dbraw/zinc/75/11/56/1410751156.db2.gz CIRMUJRSNVRUNZ-UHFFFAOYSA-N 2 0 396.531 3.401 20 10 GGCDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127971530 1415885792 /nfs/dbraw/zinc/88/57/92/1415885792.db2.gz LREARUQTVHCZQX-MJGOQNOKSA-N 2 0 390.547 3.054 20 10 GGCDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000150952196 1417842655 /nfs/dbraw/zinc/84/26/55/1417842655.db2.gz VFOJNDKJCDJDCN-GOSISDBHSA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151056651 1417863539 /nfs/dbraw/zinc/86/35/39/1417863539.db2.gz KZHPVFJRVOGTMQ-LJQANCHMSA-N 2 0 383.536 3.314 20 10 GGCDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000155583294 1423430938 /nfs/dbraw/zinc/43/09/38/1423430938.db2.gz FFAZMIDROGSNGL-RBUKOAKNSA-N 2 0 376.564 3.493 20 10 GGCDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000157391121 1424000868 /nfs/dbraw/zinc/00/08/68/1424000868.db2.gz XEZVXPHCAWZOCR-AUSIDOKSSA-N 2 0 389.584 3.391 20 10 GGCDRP CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000161248857 1424670792 /nfs/dbraw/zinc/67/07/92/1424670792.db2.gz OQYWIEPVVOZGQT-QFIPXVFZSA-N 2 0 382.552 3.285 20 10 GGCDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](C)C1 ZINC000163397734 1424991129 /nfs/dbraw/zinc/99/11/29/1424991129.db2.gz NXUQLZYYXHBOIN-BEFAXECRSA-N 2 0 385.474 3.362 20 10 GGCDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163598263 1425022467 /nfs/dbraw/zinc/02/24/67/1425022467.db2.gz FYANQABMXQAQGJ-KNQAVFIVSA-N 2 0 391.625 3.466 20 10 GGCDRP Cc1cc(O)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cc1C ZINC000174408728 1427145112 /nfs/dbraw/zinc/14/51/12/1427145112.db2.gz XAQWHNYJPKYSDD-UHFFFAOYSA-N 2 0 381.520 3.124 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000180975681 1430146762 /nfs/dbraw/zinc/14/67/62/1430146762.db2.gz OWSLHUYOBVKKGI-IBGZPJMESA-N 2 0 394.563 3.429 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccc(N(C)C)cc1 ZINC000180975699 1430147025 /nfs/dbraw/zinc/14/70/25/1430147025.db2.gz OWSLHUYOBVKKGI-LJQANCHMSA-N 2 0 394.563 3.429 20 10 GGCDRP CC(=O)c1cc(F)cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1O ZINC000182965637 1430581819 /nfs/dbraw/zinc/58/18/19/1430581819.db2.gz DAJKHSPIDVPBMX-UHFFFAOYSA-N 2 0 378.488 3.058 20 10 GGCDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)CC1 ZINC000183050358 1430600082 /nfs/dbraw/zinc/60/00/82/1430600082.db2.gz ZZVNHTUEBFIHFG-QFIPXVFZSA-N 2 0 395.547 3.183 20 10 GGCDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184993522 1431037677 /nfs/dbraw/zinc/03/76/77/1431037677.db2.gz MOXZNGMDQBAXBN-XMSQKQJNSA-N 2 0 383.536 3.430 20 10 GGCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185047326 1431048645 /nfs/dbraw/zinc/04/86/45/1431048645.db2.gz WKXDEJLQUOKQFC-GOSISDBHSA-N 2 0 383.536 3.389 20 10 GGCDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc2c(cc1O)CCCC2 ZINC000185322276 1431113752 /nfs/dbraw/zinc/11/37/52/1431113752.db2.gz XSHFAEYLXRWVIV-KRWDZBQOSA-N 2 0 395.547 3.413 20 10 GGCDRP Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000186055820 1431320733 /nfs/dbraw/zinc/32/07/33/1431320733.db2.gz RHNGVVYNGTYMMQ-GOSISDBHSA-N 2 0 381.520 3.377 20 10 GGCDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000186589420 1431462012 /nfs/dbraw/zinc/46/20/12/1431462012.db2.gz AVXMXKYOEVUGEW-RBUKOAKNSA-N 2 0 376.564 3.493 20 10 GGCDRP CN(C)c1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000237123685 1433389922 /nfs/dbraw/zinc/38/99/22/1433389922.db2.gz NPQCFFGGLIGYJY-UHFFFAOYSA-N 2 0 380.580 3.440 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cc2F)CC1 ZINC000245873353 1433531256 /nfs/dbraw/zinc/53/12/56/1433531256.db2.gz JUGYCHWMWPHBFL-DUXKGJEZSA-N 2 0 375.532 3.261 20 10 GGCDRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(-c4ccccc4)ccc3O)ccn2)CC1 ZINC000263647606 1434015249 /nfs/dbraw/zinc/01/52/49/1434015249.db2.gz CGWIFXVVTJAHGA-UHFFFAOYSA-N 2 0 388.515 3.496 20 10 GGCDRP CCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(O)c1 ZINC000271204704 1434807940 /nfs/dbraw/zinc/80/79/40/1434807940.db2.gz JXWANXPKWAGIII-UHFFFAOYSA-N 2 0 375.557 3.171 20 10 GGCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000280290654 1435627835 /nfs/dbraw/zinc/62/78/35/1435627835.db2.gz NKRRYESRINVONP-OALUTQOASA-N 2 0 385.474 3.239 20 10 GGCDRP CN(C)c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(C(F)(F)F)c1 ZINC000281006519 1435755044 /nfs/dbraw/zinc/75/50/44/1435755044.db2.gz WIMZWNMAEXBTPR-UHFFFAOYSA-N 2 0 398.517 3.420 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)cc2F)CC1 ZINC000284237132 1436006235 /nfs/dbraw/zinc/00/62/35/1436006235.db2.gz DVQIADPKLYCYRZ-UHFFFAOYSA-N 2 0 385.531 3.345 20 10 GGCDRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000155655605 565070293 /nfs/dbraw/zinc/07/02/93/565070293.db2.gz VDIACYZPLNOWPX-WMLDXEAASA-N 2 0 384.362 3.079 20 10 GGCDRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1 ZINC000370341565 565139249 /nfs/dbraw/zinc/13/92/49/565139249.db2.gz PTLFAXSPHJTGHH-UHFFFAOYSA-N 2 0 396.373 3.145 20 10 GGCDRP CC(C)[C@H](C[NH2+][C@@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000184976807 565168986 /nfs/dbraw/zinc/16/89/86/565168986.db2.gz YDOLXOIGSSKZCO-YOEHRIQHSA-N 2 0 384.362 3.077 20 10 GGCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000185491340 565203795 /nfs/dbraw/zinc/20/37/95/565203795.db2.gz NAHOFYGGVCARSM-KGLIPLIRSA-N 2 0 383.330 3.306 20 10 GGCDRP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000185491378 565204534 /nfs/dbraw/zinc/20/45/34/565204534.db2.gz NAHOFYGGVCARSM-ZIAGYGMSSA-N 2 0 383.330 3.306 20 10 GGCDRP CC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186426937 565260914 /nfs/dbraw/zinc/26/09/14/565260914.db2.gz YMHPAPUYLJWEDN-YOEHRIQHSA-N 2 0 384.362 3.221 20 10 GGCDRP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(Br)ccc1O ZINC000373459113 565286580 /nfs/dbraw/zinc/28/65/80/565286580.db2.gz DDHXQCZJDDMBPF-CRAIPNDOSA-N 2 0 396.373 3.364 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ccc1O ZINC000273534243 565325061 /nfs/dbraw/zinc/32/50/61/565325061.db2.gz WXLZRCCQKHURNH-BJOOFOGMSA-N 2 0 383.330 3.183 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000275390142 565407147 /nfs/dbraw/zinc/40/71/47/565407147.db2.gz YSGGTYFNEBRUIX-LSDHHAIUSA-N 2 0 384.362 3.140 20 10 GGCDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Br)ccc3O)CC2)CC1 ZINC000363892977 566026291 /nfs/dbraw/zinc/02/62/91/566026291.db2.gz WNNOGFLVRVWOGK-UHFFFAOYSA-N 2 0 396.373 3.004 20 10 GGCDRP CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000090038807 1410061206 /nfs/dbraw/zinc/06/12/06/1410061206.db2.gz KYEFJCXLOOTIJM-SFHVURJKSA-N 2 0 382.552 3.285 20 10 GGCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336852 1410235858 /nfs/dbraw/zinc/23/58/58/1410235858.db2.gz ZWQNLWUHWVDLNX-HSZRJFAPSA-N 2 0 379.548 3.477 20 10 GGCDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336851 1410236325 /nfs/dbraw/zinc/23/63/25/1410236325.db2.gz ZWQNLWUHWVDLNX-QHCPKHFHSA-N 2 0 379.548 3.477 20 10 GGCDRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(O)cccc3Cl)c2)C1 ZINC000113339861 1412295344 /nfs/dbraw/zinc/29/53/44/1412295344.db2.gz KCHGENNXFXREHO-QGZVFWFLSA-N 2 0 387.911 3.033 20 10 GGCDRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120824466 1413916074 /nfs/dbraw/zinc/91/60/74/1413916074.db2.gz YCQCNQNAMVXSCS-MOPGFXCFSA-N 2 0 376.564 3.350 20 10 GGCDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178041236 1428952218 /nfs/dbraw/zinc/95/22/18/1428952218.db2.gz OIBUBSOZFPUFEB-OTWHNJEPSA-N 2 0 393.547 3.202 20 10 GGCDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000154349804 1422876721 /nfs/dbraw/zinc/87/67/21/1422876721.db2.gz MOLWYPSOKNZIIU-LJQANCHMSA-N 2 0 376.564 3.494 20 10 GGCDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000155583188 1423431388 /nfs/dbraw/zinc/43/13/88/1423431388.db2.gz FFAZMIDROGSNGL-MOPGFXCFSA-N 2 0 376.564 3.493 20 10 GGCDRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1O ZINC000156620033 1423836925 /nfs/dbraw/zinc/83/69/25/1423836925.db2.gz HNNIKVMPWSFUBA-OAQYLSRUSA-N 2 0 381.520 3.459 20 10 GGCDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000160168572 1424582480 /nfs/dbraw/zinc/58/24/80/1424582480.db2.gz NNUZIASZABXZKC-SFHVURJKSA-N 2 0 376.564 3.493 20 10 GGCDRP COc1ccc(N2CCC([NH2+]Cc3cccc(OCC[NH+](C)C)c3)CC2)cc1 ZINC000162564055 1424866554 /nfs/dbraw/zinc/86/65/54/1424866554.db2.gz BAAJZTDHSDAXNH-UHFFFAOYSA-N 2 0 383.536 3.394 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000163415788 1424994551 /nfs/dbraw/zinc/99/45/51/1424994551.db2.gz IPGSJMJXWQKHKR-HNNXBMFYSA-N 2 0 385.474 3.362 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2F)CC1 ZINC000181722399 1430347468 /nfs/dbraw/zinc/34/74/68/1430347468.db2.gz JUGYCHWMWPHBFL-WMQCIHAUSA-N 2 0 375.532 3.261 20 10 GGCDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(OC)ccc3O)cc2)CC1 ZINC000185047032 1431048725 /nfs/dbraw/zinc/04/87/25/1431048725.db2.gz GGPHTBSJQVEUTK-SFHVURJKSA-N 2 0 383.536 3.389 20 10 GGCDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185165989 1431076132 /nfs/dbraw/zinc/07/61/32/1431076132.db2.gz AUVPTOFAFDWEKX-KRWDZBQOSA-N 2 0 380.536 3.269 20 10 GGCDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(Cl)ccc1O ZINC000185322034 1431113646 /nfs/dbraw/zinc/11/36/46/1431113646.db2.gz LTGDXAROJKQWEG-AWEZNQCLSA-N 2 0 375.900 3.188 20 10 GGCDRP Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000186055834 1431320764 /nfs/dbraw/zinc/32/07/64/1431320764.db2.gz RHNGVVYNGTYMMQ-SFHVURJKSA-N 2 0 381.520 3.377 20 10 GGCDRP COc1cc(O)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC ZINC000284277148 1436009429 /nfs/dbraw/zinc/00/94/29/1436009429.db2.gz AJJPVANNYQHCGY-UHFFFAOYSA-N 2 0 386.492 3.172 20 10 GGCDRP CC(C)[C@H](C[NH2+][C@H](C)c1cc(Br)ccc1O)N1CC[NH+](C)CC1 ZINC000184976841 565169333 /nfs/dbraw/zinc/16/93/33/565169333.db2.gz YDOLXOIGSSKZCO-PBHICJAKSA-N 2 0 384.362 3.077 20 10 GGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(Br)ccc2O)CC1 ZINC000185344781 565195810 /nfs/dbraw/zinc/19/58/10/565195810.db2.gz QDYDOCDPTIECFU-CABCVRRESA-N 2 0 384.362 3.079 20 10 GGCDRP CC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186426954 565260885 /nfs/dbraw/zinc/26/08/85/565260885.db2.gz YMHPAPUYLJWEDN-WMLDXEAASA-N 2 0 384.362 3.221 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)c1O ZINC000187278642 565320741 /nfs/dbraw/zinc/32/07/41/565320741.db2.gz UZSIZPSBOPJGHA-CQSZACIVSA-N 2 0 384.362 3.140 20 10 GGCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000078482849 1409918856 /nfs/dbraw/zinc/91/88/56/1409918856.db2.gz MESQZMLLWGVKJB-UHFFFAOYSA-N 2 0 380.580 3.440 20 10 GGCDRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120824759 1413916363 /nfs/dbraw/zinc/91/63/63/1413916363.db2.gz YCQCNQNAMVXSCS-RTBURBONSA-N 2 0 376.564 3.350 20 10 GGCDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000120824606 1413916598 /nfs/dbraw/zinc/91/65/98/1413916598.db2.gz YCQCNQNAMVXSCS-RBUKOAKNSA-N 2 0 376.564 3.350 20 10 GGCDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000128262287 1415949829 /nfs/dbraw/zinc/94/98/29/1415949829.db2.gz HUOTVSHDMWNPMQ-IBGZPJMESA-N 2 0 376.564 3.494 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151056593 1417863627 /nfs/dbraw/zinc/86/36/27/1417863627.db2.gz KZHPVFJRVOGTMQ-IBGZPJMESA-N 2 0 383.536 3.314 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151061604 1417864794 /nfs/dbraw/zinc/86/47/94/1417864794.db2.gz XTAXZBYAZRBURB-IBGZPJMESA-N 2 0 383.536 3.314 20 10 GGCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000154231894 1422859178 /nfs/dbraw/zinc/85/91/78/1422859178.db2.gz XWTKZMYRTZKYAL-IBGZPJMESA-N 2 0 376.564 3.494 20 10 GGCDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000163598391 1425022678 /nfs/dbraw/zinc/02/26/78/1425022678.db2.gz FYANQABMXQAQGJ-DENIHFKCSA-N 2 0 391.625 3.466 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cc2c(cc1O)CCCC2 ZINC000184968889 1431033165 /nfs/dbraw/zinc/03/31/65/1431033165.db2.gz AMHUXFRJUREJAW-QGZVFWFLSA-N 2 0 380.536 3.269 20 10 GGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000185400650 1431136673 /nfs/dbraw/zinc/13/66/73/1431136673.db2.gz MVIWKNCAAIXBDP-XLIONFOSSA-N 2 0 381.520 3.249 20 10 GGCDRP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c(O)c1 ZINC000185400673 1431137154 /nfs/dbraw/zinc/13/71/54/1431137154.db2.gz MVIWKNCAAIXBDP-PXNSSMCTSA-N 2 0 381.520 3.249 20 10 GGCDRP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1 ZINC000186055986 1431320708 /nfs/dbraw/zinc/32/07/08/1431320708.db2.gz JUBIGNASXDHQEJ-GOSISDBHSA-N 2 0 381.520 3.377 20 10 GGCDRP COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000186055934 1431320752 /nfs/dbraw/zinc/32/07/52/1431320752.db2.gz YGSOYBBXTPPYHQ-QGZVFWFLSA-N 2 0 397.519 3.077 20 10 GGCDRP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c(O)c1 ZINC000186056004 1431320914 /nfs/dbraw/zinc/32/09/14/1431320914.db2.gz JUBIGNASXDHQEJ-SFHVURJKSA-N 2 0 381.520 3.377 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1O ZINC000186060214 1431321721 /nfs/dbraw/zinc/32/17/21/1431321721.db2.gz LQDXNQYNYSAABJ-AWEZNQCLSA-N 2 0 375.900 3.188 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc(Cl)ccc1O ZINC000186060236 1431321777 /nfs/dbraw/zinc/32/17/77/1431321777.db2.gz LQDXNQYNYSAABJ-CQSZACIVSA-N 2 0 375.900 3.188 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2c(cc1O)CCCC2 ZINC000186060599 1431321950 /nfs/dbraw/zinc/32/19/50/1431321950.db2.gz IUJRLEIBBWSHRQ-QGZVFWFLSA-N 2 0 395.547 3.413 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc2c(cc1O)CCCC2 ZINC000186060582 1431322133 /nfs/dbraw/zinc/32/21/33/1431322133.db2.gz IUJRLEIBBWSHRQ-KRWDZBQOSA-N 2 0 395.547 3.413 20 10 GGCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186589382 1431461925 /nfs/dbraw/zinc/46/19/25/1431461925.db2.gz AVXMXKYOEVUGEW-OALUTQOASA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000186594913 1431463276 /nfs/dbraw/zinc/46/32/76/1431463276.db2.gz JEHFVVBLEHIRQU-IBGZPJMESA-N 2 0 383.536 3.087 20 10 GGCDRP CCN(C)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000190981929 1432542788 /nfs/dbraw/zinc/54/27/88/1432542788.db2.gz AKTNUBJLCWJYLY-UHFFFAOYSA-N 2 0 385.531 3.109 20 10 GGCDRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cc4c(cc3O)OCO4)CC2)c1 ZINC000237856214 1433429443 /nfs/dbraw/zinc/42/94/43/1433429443.db2.gz GWONMGDMPPZQDC-UHFFFAOYSA-N 2 0 397.519 3.121 20 10 GGCDRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279942710 1435567300 /nfs/dbraw/zinc/56/73/00/1435567300.db2.gz NXBIWIIXWPGKEH-UHFFFAOYSA-N 2 0 386.506 3.279 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1O ZINC000186197547 565246425 /nfs/dbraw/zinc/24/64/25/565246425.db2.gz PBQSKGCWVGLERO-CYBMUJFWSA-N 2 0 394.313 3.341 20 10 GGCDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186999186 565301708 /nfs/dbraw/zinc/30/17/08/565301708.db2.gz HHGMQISAWWAHRP-HNNXBMFYSA-N 2 0 384.362 3.141 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000275390122 565406855 /nfs/dbraw/zinc/40/68/55/565406855.db2.gz YSGGTYFNEBRUIX-GJZGRUSLSA-N 2 0 384.362 3.140 20 10 GGCDRP Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000275390112 565406963 /nfs/dbraw/zinc/40/69/63/565406963.db2.gz YSGGTYFNEBRUIX-CABCVRRESA-N 2 0 384.362 3.140 20 10 GGCDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(N(C)C)cc1 ZINC000090038690 1410061510 /nfs/dbraw/zinc/06/15/10/1410061510.db2.gz NSVCIMOPWADBFR-QFIPXVFZSA-N 2 0 382.552 3.285 20 10 GGCDRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(O)cccc3Cl)c2)C1 ZINC000113339859 1412294195 /nfs/dbraw/zinc/29/41/95/1412294195.db2.gz KCHGENNXFXREHO-KRWDZBQOSA-N 2 0 387.911 3.033 20 10 GGCDRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)CN1CC[NH+](C)CC1 ZINC000120824333 1413915901 /nfs/dbraw/zinc/91/59/01/1413915901.db2.gz YCQCNQNAMVXSCS-OALUTQOASA-N 2 0 376.564 3.350 20 10 GGCDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N2CCCCCC2)cc1 ZINC000128088175 1415909501 /nfs/dbraw/zinc/90/95/01/1415909501.db2.gz DDEFSDWKQDOYOB-CTNGQTDRSA-N 2 0 386.584 3.305 20 10 GGCDRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2c(O)cccc2Cl)cc1 ZINC000130186194 1416334925 /nfs/dbraw/zinc/33/49/25/1416334925.db2.gz JENRSSMWKNSGDC-UHFFFAOYSA-N 2 0 387.911 3.161 20 10 GGCDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000150952140 1417842675 /nfs/dbraw/zinc/84/26/75/1417842675.db2.gz VFOJNDKJCDJDCN-SFHVURJKSA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000151061649 1417864953 /nfs/dbraw/zinc/86/49/53/1417864953.db2.gz XTAXZBYAZRBURB-LJQANCHMSA-N 2 0 383.536 3.314 20 10 GGCDRP COc1ccc(O)c(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000179899142 1429630584 /nfs/dbraw/zinc/63/05/84/1429630584.db2.gz OKKZTTXSGZITFG-UHFFFAOYSA-N 2 0 383.536 3.088 20 10 GGCDRP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1O ZINC000155750759 1423515876 /nfs/dbraw/zinc/51/58/76/1423515876.db2.gz DTKSWICWQAMQQH-PZJWPPBQSA-N 2 0 381.520 3.330 20 10 GGCDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000160168690 1424582901 /nfs/dbraw/zinc/58/29/01/1424582901.db2.gz NNUZIASZABXZKC-GOSISDBHSA-N 2 0 376.564 3.493 20 10 GGCDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)[C@H](C)C1 ZINC000163397860 1424991237 /nfs/dbraw/zinc/99/12/37/1424991237.db2.gz NXUQLZYYXHBOIN-DNVCBOLYSA-N 2 0 385.474 3.362 20 10 GGCDRP C[N@H+](CCOc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1)C1CCOCC1 ZINC000180607001 1429930503 /nfs/dbraw/zinc/93/05/03/1429930503.db2.gz DZJGCZICPLEDNO-UHFFFAOYSA-N 2 0 388.483 3.311 20 10 GGCDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4)cc3O)C2)CC1 ZINC000183050337 1430600345 /nfs/dbraw/zinc/60/03/45/1430600345.db2.gz ZZVNHTUEBFIHFG-JOCHJYFZSA-N 2 0 395.547 3.183 20 10 GGCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184993505 1431037433 /nfs/dbraw/zinc/03/74/33/1431037433.db2.gz MOXZNGMDQBAXBN-PGRDOPGGSA-N 2 0 383.536 3.430 20 10 GGCDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185166008 1431076326 /nfs/dbraw/zinc/07/63/26/1431076326.db2.gz AUVPTOFAFDWEKX-QGZVFWFLSA-N 2 0 380.536 3.269 20 10 GGCDRP COc1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)c1 ZINC000186055920 1431320774 /nfs/dbraw/zinc/32/07/74/1431320774.db2.gz YGSOYBBXTPPYHQ-KRWDZBQOSA-N 2 0 397.519 3.077 20 10 GGCDRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1cc(F)ccc1O ZINC000186056080 1431321009 /nfs/dbraw/zinc/32/10/09/1431321009.db2.gz ORSLGPGNDRCQHU-INIZCTEOSA-N 2 0 385.483 3.208 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(N(C)C(C)C)nc3)cc2F)CC1 ZINC000190982032 1432542964 /nfs/dbraw/zinc/54/29/64/1432542964.db2.gz ZFVMJIAXOSBRRK-UHFFFAOYSA-N 2 0 399.558 3.497 20 10 GGCDRP COc1cccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)c1O ZINC000237371213 1433399302 /nfs/dbraw/zinc/39/93/02/1433399302.db2.gz TVWDZKNINIUKHZ-UHFFFAOYSA-N 2 0 383.536 3.088 20 10 GGCDRP COc1ccc(O)c([C@H](C)[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248499076 1433806064 /nfs/dbraw/zinc/80/60/64/1433806064.db2.gz MOXZNGMDQBAXBN-AVRDEDQJSA-N 2 0 383.536 3.430 20 10 GGCDRP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000155655488 565070274 /nfs/dbraw/zinc/07/02/74/565070274.db2.gz VDIACYZPLNOWPX-YOEHRIQHSA-N 2 0 384.362 3.079 20 10 GGCDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Br)cc2O)CC1 ZINC000185014809 565172162 /nfs/dbraw/zinc/17/21/62/565172162.db2.gz LVYNHNJDLOAFKP-OAHLLOKOSA-N 2 0 384.362 3.223 20 10 GGCDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(Br)ccc2O)CC1 ZINC000185344817 565196881 /nfs/dbraw/zinc/19/68/81/565196881.db2.gz QDYDOCDPTIECFU-HUUCEWRRSA-N 2 0 384.362 3.079 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ccc1O ZINC000185491324 565204469 /nfs/dbraw/zinc/20/44/69/565204469.db2.gz NAHOFYGGVCARSM-KBPBESRZSA-N 2 0 383.330 3.306 20 10 GGCDRP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Br)cc1O ZINC000186197527 565246000 /nfs/dbraw/zinc/24/60/00/565246000.db2.gz PBQSKGCWVGLERO-ZDUSSCGKSA-N 2 0 394.313 3.341 20 10 GGCDRP CC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(Br)ccc1O ZINC000186426986 565261143 /nfs/dbraw/zinc/26/11/43/565261143.db2.gz YMHPAPUYLJWEDN-RHSMWYFYSA-N 2 0 384.362 3.221 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[N@H+](C)CC2)c1O ZINC000187168143 565314799 /nfs/dbraw/zinc/31/47/99/565314799.db2.gz VXIFQBKDDMRMPC-OAHLLOKOSA-N 2 0 384.362 3.141 20 10 GGCDRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ccc1O ZINC000273534254 565324975 /nfs/dbraw/zinc/32/49/75/565324975.db2.gz WXLZRCCQKHURNH-XZOAIXRZSA-N 2 0 383.330 3.183 20 10 GGCDRP Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000364467851 566052987 /nfs/dbraw/zinc/05/29/87/566052987.db2.gz OJKCFDNLQHVGCX-GDBMZVCRSA-N 2 0 396.373 3.282 20 10 GGCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000106483654 1411224288 /nfs/dbraw/zinc/22/42/88/1411224288.db2.gz SEEJYRANDVWZJH-OAQYLSRUSA-N 2 0 380.580 3.439 20 10 GGCDRP CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000106483650 1411224514 /nfs/dbraw/zinc/22/45/14/1411224514.db2.gz SEEJYRANDVWZJH-NRFANRHFSA-N 2 0 380.580 3.439 20 10 GGCDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N2CCCCC2)c(F)c1 ZINC000127971339 1415885944 /nfs/dbraw/zinc/88/59/44/1415885944.db2.gz LREARUQTVHCZQX-HKUYNNGSSA-N 2 0 390.547 3.054 20 10 GGCDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000155583064 1423431322 /nfs/dbraw/zinc/43/13/22/1423431322.db2.gz FFAZMIDROGSNGL-OALUTQOASA-N 2 0 376.564 3.493 20 10 GGCDRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1O ZINC000156619919 1423836700 /nfs/dbraw/zinc/83/67/00/1423836700.db2.gz HNNIKVMPWSFUBA-NRFANRHFSA-N 2 0 381.520 3.459 20 10 GGCDRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000163519913 1425011430 /nfs/dbraw/zinc/01/14/30/1425011430.db2.gz MYZBAGZKYQZKIM-NRFANRHFSA-N 2 0 388.600 3.420 20 10 GGCDRP CC[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000163520018 1425012056 /nfs/dbraw/zinc/01/20/56/1425012056.db2.gz MYZBAGZKYQZKIM-OAQYLSRUSA-N 2 0 388.600 3.420 20 10 GGCDRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000164111983 1425078241 /nfs/dbraw/zinc/07/82/41/1425078241.db2.gz AWVKAVPOSHGEDC-UHFFFAOYSA-N 2 0 376.541 3.243 20 10 GGCDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cc2F)CC1 ZINC000181722440 1430347557 /nfs/dbraw/zinc/34/75/57/1430347557.db2.gz JUGYCHWMWPHBFL-UIFIKXQLSA-N 2 0 375.532 3.261 20 10 GGCDRP COc1ccc(O)c(C[NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000182501423 1430478947 /nfs/dbraw/zinc/47/89/47/1430478947.db2.gz WICCXHLXQWWWRO-UHFFFAOYSA-N 2 0 383.536 3.401 20 10 GGCDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc2c(cc1O)CCCC2 ZINC000185042316 1431047584 /nfs/dbraw/zinc/04/75/84/1431047584.db2.gz BLWUXEXTMFUSGN-QGZVFWFLSA-N 2 0 380.536 3.269 20 10 GGCDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185047306 1431048490 /nfs/dbraw/zinc/04/84/90/1431048490.db2.gz WKXDEJLQUOKQFC-SFHVURJKSA-N 2 0 383.536 3.389 20 10 GGCDRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1O ZINC000185400794 1431136917 /nfs/dbraw/zinc/13/69/17/1431136917.db2.gz PHDAMNHFNZEALX-YJBOKZPZSA-N 2 0 385.483 3.079 20 10 GGCDRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)c1cc(F)ccc1O ZINC000185400811 1431136931 /nfs/dbraw/zinc/13/69/31/1431136931.db2.gz PHDAMNHFNZEALX-QAPCUYQASA-N 2 0 385.483 3.079 20 10 GGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186589401 1431462007 /nfs/dbraw/zinc/46/20/07/1431462007.db2.gz AVXMXKYOEVUGEW-MOPGFXCFSA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000186589440 1431462093 /nfs/dbraw/zinc/46/20/93/1431462093.db2.gz AVXMXKYOEVUGEW-RTBURBONSA-N 2 0 376.564 3.493 20 10 GGCDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000186594930 1431463238 /nfs/dbraw/zinc/46/32/38/1431463238.db2.gz JEHFVVBLEHIRQU-LJQANCHMSA-N 2 0 383.536 3.087 20 10 GGCDRP COc1cc(Cl)cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000273702326 1435006515 /nfs/dbraw/zinc/00/65/15/1435006515.db2.gz DPNFLDYCTZSAAM-UHFFFAOYSA-N 2 0 381.948 3.045 20 10 GGCDRP CN(C)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C(F)(F)F)c1 ZINC000280290652 1435627694 /nfs/dbraw/zinc/62/76/94/1435627694.db2.gz NKRRYESRINVONP-MOPGFXCFSA-N 2 0 385.474 3.239 20 10 GGCDRP