smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378715 431337205 /nfs/dbraw/zinc/33/72/05/431337205.db2.gz DVGZURQMZNEVCL-QGZVFWFLSA-N 2 1 311.433 3.440 40 0 DGABMP CCOc1cc(C[NH2+]CCC[NH+](C)C)cc(Cl)c1OCC ZINC000008253877 431388540 /nfs/dbraw/zinc/38/85/40/431388540.db2.gz MYZJKPXTPMZRIP-UHFFFAOYSA-N 2 1 314.857 3.179 40 0 DGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051752 431935731 /nfs/dbraw/zinc/93/57/31/431935731.db2.gz JLBACAKNVDPQHB-QGZVFWFLSA-N 2 1 320.477 3.299 40 0 DGABMP C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCCC3)CC2)nn1C ZINC000257252876 432423419 /nfs/dbraw/zinc/42/34/19/432423419.db2.gz JWLZDFMYPAZHLH-WKILWMFISA-N 2 1 318.509 3.288 40 0 DGABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351941 400949471 /nfs/dbraw/zinc/94/94/71/400949471.db2.gz OCKDPBVSIVVMTJ-LNMJFAINSA-N 2 1 324.509 3.051 40 0 DGABMP C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000253603706 432400934 /nfs/dbraw/zinc/40/09/34/432400934.db2.gz KNCLSRWZFJXARD-GJZGRUSLSA-N 2 1 312.461 3.262 40 0 DGABMP CC[N@H+](CCO)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001706243 431236910 /nfs/dbraw/zinc/23/69/10/431236910.db2.gz TUQGOHBCIDWLPB-UHFFFAOYSA-N 2 1 307.825 3.004 40 0 DGABMP CC[N@@H+](CCO)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001706243 431236917 /nfs/dbraw/zinc/23/69/17/431236917.db2.gz TUQGOHBCIDWLPB-UHFFFAOYSA-N 2 1 307.825 3.004 40 0 DGABMP CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216425 431942977 /nfs/dbraw/zinc/94/29/77/431942977.db2.gz GISDWOVRTVANHP-IBGZPJMESA-N 2 1 302.462 3.263 40 0 DGABMP CCC[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216425 431942978 /nfs/dbraw/zinc/94/29/78/431942978.db2.gz GISDWOVRTVANHP-IBGZPJMESA-N 2 1 302.462 3.263 40 0 DGABMP CCC[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216425 431942980 /nfs/dbraw/zinc/94/29/80/431942980.db2.gz GISDWOVRTVANHP-IBGZPJMESA-N 2 1 302.462 3.263 40 0 DGABMP CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216425 431942982 /nfs/dbraw/zinc/94/29/82/431942982.db2.gz GISDWOVRTVANHP-IBGZPJMESA-N 2 1 302.462 3.263 40 0 DGABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000248121915 432268785 /nfs/dbraw/zinc/26/87/85/432268785.db2.gz KNKRYNAXLYAPJO-LJQANCHMSA-N 2 1 316.489 3.094 40 0 DGABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2C2CCCCCC2)n1 ZINC000257309595 282149870 /nfs/dbraw/zinc/14/98/70/282149870.db2.gz UBNGBKFGVSBJFH-QGZVFWFLSA-N 2 1 302.466 3.398 40 0 DGABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2C2CCCCCC2)n1 ZINC000257309595 282149876 /nfs/dbraw/zinc/14/98/76/282149876.db2.gz UBNGBKFGVSBJFH-QGZVFWFLSA-N 2 1 302.466 3.398 40 0 DGABMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637912 165725303 /nfs/dbraw/zinc/72/53/03/165725303.db2.gz HYZZGQJOAHUDLM-OALUTQOASA-N 2 1 321.424 3.048 40 0 DGABMP CC(C)(O)C[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001706244 275555447 /nfs/dbraw/zinc/55/54/47/275555447.db2.gz PVGKFEFXDTXWKX-UHFFFAOYSA-N 2 1 307.825 3.051 40 0 DGABMP Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096207941 431942712 /nfs/dbraw/zinc/94/27/12/431942712.db2.gz NWVHPJGBXLRORU-WOJBJXKFSA-N 2 1 314.473 3.214 40 0 DGABMP C[C@@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000096493321 431954147 /nfs/dbraw/zinc/95/41/47/431954147.db2.gz PTNWHLDIWJUVMX-ZCQXEVHSSA-N 2 1 316.489 3.444 40 0 DGABMP COCc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000179221278 432050854 /nfs/dbraw/zinc/05/08/54/432050854.db2.gz NCMDIIXIYMSGKG-LJQANCHMSA-N 2 1 302.462 3.283 40 0 DGABMP COCc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000179221278 432050857 /nfs/dbraw/zinc/05/08/57/432050857.db2.gz NCMDIIXIYMSGKG-LJQANCHMSA-N 2 1 302.462 3.283 40 0 DGABMP C[C@@H]1CC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000110708043 194352807 /nfs/dbraw/zinc/35/28/07/194352807.db2.gz PTNWHLDIWJUVMX-NNXNONAVSA-N 2 1 316.489 3.444 40 0 DGABMP CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216545 257125206 /nfs/dbraw/zinc/12/52/06/257125206.db2.gz LAWOIOBXQBVBHF-SFHVURJKSA-N 2 1 316.493 3.016 40 0 DGABMP C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)C1 ZINC000253603704 432400293 /nfs/dbraw/zinc/40/02/93/432400293.db2.gz KNCLSRWZFJXARD-CABCVRRESA-N 2 1 312.461 3.262 40 0 DGABMP C[C@H]1[C@H](CC[NH+](C)C)COCC[N@H+]1Cc1ccccc1Cl ZINC000306131339 231087340 /nfs/dbraw/zinc/08/73/40/231087340.db2.gz KCEDBKLLALMCPS-GOEBONIOSA-N 2 1 310.869 3.129 40 0 DGABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000008377141 431396420 /nfs/dbraw/zinc/39/64/20/431396420.db2.gz QWSKDHPGQOIOLD-UHFFFAOYSA-N 2 1 323.234 3.408 40 0 DGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccsc1)CC2 ZINC000096051749 431934909 /nfs/dbraw/zinc/93/49/09/431934909.db2.gz DENOZJRDJKOOKS-KRWDZBQOSA-N 2 1 322.518 3.459 40 0 DGABMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)nc1 ZINC000096081937 431938091 /nfs/dbraw/zinc/93/80/91/431938091.db2.gz SZJGANUOXDUVMU-SQGPQFPESA-N 2 1 322.456 3.437 40 0 DGABMP C[C@H]1CC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H](C)O1 ZINC000096493322 431953740 /nfs/dbraw/zinc/95/37/40/431953740.db2.gz PTNWHLDIWJUVMX-LNLFQRSKSA-N 2 1 316.489 3.444 40 0 DGABMP COC[C@H]1CC2(C[N@@H+]1C(C)C)CCN(c1cccc(C)[nH+]1)CC2 ZINC000096240303 274052005 /nfs/dbraw/zinc/05/20/05/274052005.db2.gz LQXNGSUKNNYXLJ-QGZVFWFLSA-N 2 1 317.477 3.106 40 0 DGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CCN(c1cccc(C)[nH+]1)CC2 ZINC000096240303 274052007 /nfs/dbraw/zinc/05/20/07/274052007.db2.gz LQXNGSUKNNYXLJ-QGZVFWFLSA-N 2 1 317.477 3.106 40 0 DGABMP CCc1nccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000072378708 431337174 /nfs/dbraw/zinc/33/71/74/431337174.db2.gz PJYRQTVLCNXEEW-MRXNPFEDSA-N 2 1 311.433 3.304 40 0 DGABMP COC[C@@H]1CC2(C[N@@H+]1C(C)C)CCN(c1cccc(C)[nH+]1)CC2 ZINC000096240304 431943125 /nfs/dbraw/zinc/94/31/25/431943125.db2.gz LQXNGSUKNNYXLJ-KRWDZBQOSA-N 2 1 317.477 3.106 40 0 DGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CCN(c1cccc(C)[nH+]1)CC2 ZINC000096240304 431943127 /nfs/dbraw/zinc/94/31/27/431943127.db2.gz LQXNGSUKNNYXLJ-KRWDZBQOSA-N 2 1 317.477 3.106 40 0 DGABMP CCCC[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216607 257125137 /nfs/dbraw/zinc/12/51/37/257125137.db2.gz VPRYVECOXSEGBR-SFHVURJKSA-N 2 1 316.493 3.161 40 0 DGABMP COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](C(C)C)CC2 ZINC000585103316 400125698 /nfs/dbraw/zinc/12/56/98/400125698.db2.gz OGSURUXUCANURR-KRWDZBQOSA-N 2 1 322.518 3.317 40 0 DGABMP C[NH+](C)CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000008373889 431395588 /nfs/dbraw/zinc/39/55/88/431395588.db2.gz BDJHYXIDPVDSIS-UHFFFAOYSA-N 2 1 316.420 3.446 40 0 DGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccsc1)CC2 ZINC000096051748 431935643 /nfs/dbraw/zinc/93/56/43/431935643.db2.gz DENOZJRDJKOOKS-QGZVFWFLSA-N 2 1 322.518 3.459 40 0 DGABMP COC[C@H]1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[N@@H+]1C ZINC000096209486 431942456 /nfs/dbraw/zinc/94/24/56/431942456.db2.gz BVXIXKAOTBMVRM-OAHLLOKOSA-N 2 1 308.491 3.132 40 0 DGABMP COC[C@H]1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[N@H+]1C ZINC000096209486 431942458 /nfs/dbraw/zinc/94/24/58/431942458.db2.gz BVXIXKAOTBMVRM-OAHLLOKOSA-N 2 1 308.491 3.132 40 0 DGABMP c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCCC2)O3)cs1 ZINC000096208150 431942675 /nfs/dbraw/zinc/94/26/75/431942675.db2.gz GNBJYPUNZQPLMQ-QZTJIDSGSA-N 2 1 320.502 3.358 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3scnc3C)C2)c1 ZINC000257231368 432420422 /nfs/dbraw/zinc/42/04/22/432420422.db2.gz GGKGVTLINALTOD-CYBMUJFWSA-N 2 1 302.447 3.186 40 0 DGABMP C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394685 191149102 /nfs/dbraw/zinc/14/91/02/191149102.db2.gz GWZYCPNARHGSEZ-AWEZNQCLSA-N 2 1 312.461 3.262 40 0 DGABMP Cc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214012 182107600 /nfs/dbraw/zinc/10/76/00/182107600.db2.gz QDJOSCBNVODECI-IBGZPJMESA-N 2 1 322.456 3.076 40 0 DGABMP Cc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214012 182107602 /nfs/dbraw/zinc/10/76/02/182107602.db2.gz QDJOSCBNVODECI-IBGZPJMESA-N 2 1 322.456 3.076 40 0 DGABMP CCOC(=O)[C@@H](C[NH3+])[C@@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351897 400948039 /nfs/dbraw/zinc/94/80/39/400948039.db2.gz OCKDPBVSIVVMTJ-QXGSTGNESA-N 2 1 324.509 3.051 40 0 DGABMP Cc1nccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000072378714 431334809 /nfs/dbraw/zinc/33/48/09/431334809.db2.gz DVGZURQMZNEVCL-KRWDZBQOSA-N 2 1 311.433 3.440 40 0 DGABMP C[C@H]1[C@H](CC[NH+](C)C)COCC[N@H+]1Cc1cccc(Cl)c1 ZINC000248112201 432268605 /nfs/dbraw/zinc/26/86/05/432268605.db2.gz KJJZYNXLGHFLQB-GOEBONIOSA-N 2 1 310.869 3.129 40 0 DGABMP CC[NH+]1CCC([NH+]2CCC(Cc3ccnc(C)c3)CC2)CC1 ZINC000257271657 432425237 /nfs/dbraw/zinc/42/52/37/432425237.db2.gz MZFPRHLOKTZOCX-UHFFFAOYSA-N 2 1 301.478 3.129 40 0 DGABMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637907 656938242 /nfs/dbraw/zinc/93/82/42/656938242.db2.gz HYZZGQJOAHUDLM-MOPGFXCFSA-N 2 1 321.424 3.048 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3csc(C)n3)C2)c1 ZINC000257302097 203027174 /nfs/dbraw/zinc/02/71/74/203027174.db2.gz SBNNGSQLXPDMTR-CYBMUJFWSA-N 2 1 302.447 3.186 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3csc(C)n3)C2)c1 ZINC000257302097 203027177 /nfs/dbraw/zinc/02/71/77/203027177.db2.gz SBNNGSQLXPDMTR-CYBMUJFWSA-N 2 1 302.447 3.186 40 0 DGABMP C[NH+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000008373893 431396634 /nfs/dbraw/zinc/39/66/34/431396634.db2.gz RUTCQVGFICARDS-UHFFFAOYSA-N 2 1 316.420 3.446 40 0 DGABMP CC[NH+](CC)[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096206181 431943231 /nfs/dbraw/zinc/94/32/31/431943231.db2.gz QDHPLFQSJNMHEM-DLBZAZTESA-N 2 1 308.491 3.213 40 0 DGABMP c1csc(C[NH+]2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049469 431934935 /nfs/dbraw/zinc/93/49/35/431934935.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[NH+]2CCC[C@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049469 431934936 /nfs/dbraw/zinc/93/49/36/431934936.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[N@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049469 431934937 /nfs/dbraw/zinc/93/49/37/431934937.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[N@@H+]2CCC[C@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049469 431934940 /nfs/dbraw/zinc/93/49/40/431934940.db2.gz FVIPDGQCANHFOT-GOSISDBHSA-N 2 1 320.502 3.073 40 0 DGABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cccs1)CC2 ZINC000096051744 431935678 /nfs/dbraw/zinc/93/56/78/431935678.db2.gz CSQOFXRGDJFVKP-MRXNPFEDSA-N 2 1 322.518 3.459 40 0 DGABMP CC(C)C[N@H+]1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC000096189519 431941520 /nfs/dbraw/zinc/94/15/20/431941520.db2.gz CGYNZIZOMWYCSI-UHFFFAOYSA-N 2 1 313.445 3.321 40 0 DGABMP CC(C)C[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC000096189519 431941523 /nfs/dbraw/zinc/94/15/23/431941523.db2.gz CGYNZIZOMWYCSI-UHFFFAOYSA-N 2 1 313.445 3.321 40 0 DGABMP CC(C)C[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1 ZINC000096189519 431941524 /nfs/dbraw/zinc/94/15/24/431941524.db2.gz CGYNZIZOMWYCSI-UHFFFAOYSA-N 2 1 313.445 3.321 40 0 DGABMP CC(C)C[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC000096189519 431941528 /nfs/dbraw/zinc/94/15/28/431941528.db2.gz CGYNZIZOMWYCSI-UHFFFAOYSA-N 2 1 313.445 3.321 40 0 DGABMP CC[NH+](CC)[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096218325 431942942 /nfs/dbraw/zinc/94/29/42/431942942.db2.gz DWEYLOLCPVYPDA-RBUKOAKNSA-N 2 1 320.452 3.291 40 0 DGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1cccs1)CC2 ZINC000096051745 431935524 /nfs/dbraw/zinc/93/55/24/431935524.db2.gz CSQOFXRGDJFVKP-INIZCTEOSA-N 2 1 322.518 3.459 40 0 DGABMP c1cncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)c1 ZINC000096081938 431937766 /nfs/dbraw/zinc/93/77/66/431937766.db2.gz DXABWUKLVGZTBK-NLWGTHIKSA-N 2 1 322.456 3.437 40 0 DGABMP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[N@@H+]1C ZINC000096209487 431942296 /nfs/dbraw/zinc/94/22/96/431942296.db2.gz BVXIXKAOTBMVRM-HNNXBMFYSA-N 2 1 308.491 3.132 40 0 DGABMP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)s3)CC2)[N@H+]1C ZINC000096209487 431942299 /nfs/dbraw/zinc/94/22/99/431942299.db2.gz BVXIXKAOTBMVRM-HNNXBMFYSA-N 2 1 308.491 3.132 40 0 DGABMP Cc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096207362 431942823 /nfs/dbraw/zinc/94/28/23/431942823.db2.gz NWVHPJGBXLRORU-VQTJNVASSA-N 2 1 314.473 3.214 40 0 DGABMP c1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000096216428 431943188 /nfs/dbraw/zinc/94/31/88/431943188.db2.gz ISSDFMOQFUVOFQ-FQEVSTJZSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000096216428 431943190 /nfs/dbraw/zinc/94/31/90/431943190.db2.gz ISSDFMOQFUVOFQ-FQEVSTJZSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[NH+]2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096216428 431943191 /nfs/dbraw/zinc/94/31/91/431943191.db2.gz ISSDFMOQFUVOFQ-FQEVSTJZSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000096216428 431943194 /nfs/dbraw/zinc/94/31/94/431943194.db2.gz ISSDFMOQFUVOFQ-FQEVSTJZSA-N 2 1 314.473 3.263 40 0 DGABMP CC[NH+](CC)C[C@@H](O)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000005573151 181258554 /nfs/dbraw/zinc/25/85/54/181258554.db2.gz ZUMBGWGMKFFGGB-AWEZNQCLSA-N 2 1 321.852 3.393 40 0 DGABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C(C)C)CC2 ZINC000585103203 400125587 /nfs/dbraw/zinc/12/55/87/400125587.db2.gz NCSRMOVWRPOQTD-INIZCTEOSA-N 2 1 322.518 3.317 40 0 DGABMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)co1 ZINC000096046507 431935435 /nfs/dbraw/zinc/93/54/35/431935435.db2.gz POUOPHQXUBKZOM-UHFFFAOYSA-N 2 1 311.429 3.163 40 0 DGABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000096205912 431942469 /nfs/dbraw/zinc/94/24/69/431942469.db2.gz WWILGHLDWMESNJ-IAGOWNOFSA-N 2 1 308.853 3.025 40 0 DGABMP COCc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000179221264 432050520 /nfs/dbraw/zinc/05/05/20/432050520.db2.gz NCMDIIXIYMSGKG-IBGZPJMESA-N 2 1 302.462 3.283 40 0 DGABMP COCc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000179221264 432050522 /nfs/dbraw/zinc/05/05/22/432050522.db2.gz NCMDIIXIYMSGKG-IBGZPJMESA-N 2 1 302.462 3.283 40 0 DGABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C(C)C)CC2 ZINC000585103204 400126017 /nfs/dbraw/zinc/12/60/17/400126017.db2.gz NCSRMOVWRPOQTD-MRXNPFEDSA-N 2 1 322.518 3.317 40 0 DGABMP CCOC(=O)[C@H](C[NH3+])[C@@]1([NH+](CC)CC)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210474 400376130 /nfs/dbraw/zinc/37/61/30/400376130.db2.gz OCKDPBVSIVVMTJ-OHQAAIJDSA-N 2 1 324.509 3.051 40 0 DGABMP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001700323 431235018 /nfs/dbraw/zinc/23/50/18/431235018.db2.gz ZVFMMJFXUUKKFN-CYBMUJFWSA-N 2 1 307.825 3.003 40 0 DGABMP C[C@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000072394701 431334424 /nfs/dbraw/zinc/33/44/24/431334424.db2.gz KNCLSRWZFJXARD-LSDHHAIUSA-N 2 1 312.461 3.262 40 0 DGABMP [NH3+]CCCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034196274 431818768 /nfs/dbraw/zinc/81/87/68/431818768.db2.gz NSMZTYPXRYZENQ-UHFFFAOYSA-N 2 1 323.484 3.133 40 0 DGABMP CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000096215671 431942225 /nfs/dbraw/zinc/94/22/25/431942225.db2.gz QBVTVRKWSDXFRB-IBGZPJMESA-N 2 1 302.462 3.393 40 0 DGABMP CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000096215671 431942228 /nfs/dbraw/zinc/94/22/28/431942228.db2.gz QBVTVRKWSDXFRB-IBGZPJMESA-N 2 1 302.462 3.393 40 0 DGABMP CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(OC)c1)C2 ZINC000096215671 431942229 /nfs/dbraw/zinc/94/22/29/431942229.db2.gz QBVTVRKWSDXFRB-IBGZPJMESA-N 2 1 302.462 3.393 40 0 DGABMP CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000096215671 431942231 /nfs/dbraw/zinc/94/22/31/431942231.db2.gz QBVTVRKWSDXFRB-IBGZPJMESA-N 2 1 302.462 3.393 40 0 DGABMP Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N)c2ccccc21 ZINC000072395128 191149350 /nfs/dbraw/zinc/14/93/50/191149350.db2.gz ZPTOMVIDYQTYBC-MOPGFXCFSA-N 2 1 305.425 3.105 40 0 DGABMP Cc1ncsc1C[N@@H+]1CC[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257299632 203023284 /nfs/dbraw/zinc/02/32/84/203023284.db2.gz RQWIMAYSBUVTQB-AWEZNQCLSA-N 2 1 316.474 3.210 40 0 DGABMP CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216605 257124777 /nfs/dbraw/zinc/12/47/77/257124777.db2.gz QUWSAWOTOVJQMM-SFHVURJKSA-N 2 1 316.493 3.016 40 0 DGABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351844 400948901 /nfs/dbraw/zinc/94/89/01/400948901.db2.gz OCKDPBVSIVVMTJ-STEAMIEHSA-N 2 1 324.509 3.051 40 0 DGABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000247720541 432248014 /nfs/dbraw/zinc/24/80/14/432248014.db2.gz ADMXNQJNAULPTD-INIZCTEOSA-N 2 1 322.880 3.130 40 0 DGABMP c1coc(C[NH+]2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC000096046505 431935856 /nfs/dbraw/zinc/93/58/56/431935856.db2.gz PHSUEDZXUWCHBT-UHFFFAOYSA-N 2 1 311.429 3.163 40 0 DGABMP CC[NH+]1CCC([N@@H+]2CCC[C@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295455 203021716 /nfs/dbraw/zinc/02/17/16/203021716.db2.gz QYIZUXDCWSEKKA-GOSISDBHSA-N 2 1 301.478 3.129 40 0 DGABMP CC[NH+]1CCC([N@H+]2CCC[C@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295455 203021718 /nfs/dbraw/zinc/02/17/18/203021718.db2.gz QYIZUXDCWSEKKA-GOSISDBHSA-N 2 1 301.478 3.129 40 0 DGABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096051753 431935989 /nfs/dbraw/zinc/93/59/89/431935989.db2.gz JLBACAKNVDPQHB-KRWDZBQOSA-N 2 1 320.477 3.299 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3scnc3C)C2)c1 ZINC000257231369 432421415 /nfs/dbraw/zinc/42/14/15/432421415.db2.gz GGKGVTLINALTOD-ZDUSSCGKSA-N 2 1 302.447 3.186 40 0 DGABMP CC[NH+]1CCC2(C[C@H]([NH2+]Cc3nccn3C)c3ccccc32)CC1 ZINC000096241436 273650584 /nfs/dbraw/zinc/65/05/84/273650584.db2.gz BPXFYPNRENOEDW-SFHVURJKSA-N 2 1 324.472 3.008 40 0 DGABMP C[C@H](CCC[NH2+]CCO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001843040 431238218 /nfs/dbraw/zinc/23/82/18/431238218.db2.gz XFICNUNWUREFDP-GFCCVEGCSA-N 2 1 307.825 3.051 40 0 in-man DGABMP C[C@@H](CCC[NH2+]CCO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000001843038 431238697 /nfs/dbraw/zinc/23/86/97/431238697.db2.gz XFICNUNWUREFDP-LBPRGKRZSA-N 2 1 307.825 3.051 40 0 in-man DGABMP C[NH2+]CCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000008377271 431397349 /nfs/dbraw/zinc/39/73/49/431397349.db2.gz IXNRUMZYBYXLJF-UHFFFAOYSA-N 2 1 302.393 3.104 40 0 DGABMP COC[C@H]1C[N@@H+](C)C[C@@]12CC[NH+](Cc1cccc3ccccc31)C2 ZINC000096217142 431942735 /nfs/dbraw/zinc/94/27/35/431942735.db2.gz PKLRBZHMOFZTRV-TZIWHRDSSA-N 2 1 324.468 3.240 40 0 DGABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC000096217142 431942738 /nfs/dbraw/zinc/94/27/38/431942738.db2.gz PKLRBZHMOFZTRV-TZIWHRDSSA-N 2 1 324.468 3.240 40 0 DGABMP COC[C@H]1C[NH+](C)C[C@@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC000096217142 431942740 /nfs/dbraw/zinc/94/27/40/431942740.db2.gz PKLRBZHMOFZTRV-TZIWHRDSSA-N 2 1 324.468 3.240 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)c1 ZINC000257257814 432424782 /nfs/dbraw/zinc/42/47/82/432424782.db2.gz KREOPWRQJAXDTG-HNNXBMFYSA-N 2 1 313.449 3.199 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)c1 ZINC000257257814 432424785 /nfs/dbraw/zinc/42/47/85/432424785.db2.gz KREOPWRQJAXDTG-HNNXBMFYSA-N 2 1 313.449 3.199 40 0 DGABMP CC[NH+](CC)C[C@H](O)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001687502 431235739 /nfs/dbraw/zinc/23/57/39/431235739.db2.gz ZUMBGWGMKFFGGB-CQSZACIVSA-N 2 1 321.852 3.393 40 0 DGABMP C[NH2+]Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCCC3)CC2)nn1C ZINC000100687647 431982662 /nfs/dbraw/zinc/98/26/62/431982662.db2.gz JWLZDFMYPAZHLH-IYBDPMFKSA-N 2 1 318.509 3.288 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)c1 ZINC000257257815 432423958 /nfs/dbraw/zinc/42/39/58/432423958.db2.gz KREOPWRQJAXDTG-OAHLLOKOSA-N 2 1 313.449 3.199 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3nccn3C(C)C)C2)c1 ZINC000257257815 432423963 /nfs/dbraw/zinc/42/39/63/432423963.db2.gz KREOPWRQJAXDTG-OAHLLOKOSA-N 2 1 313.449 3.199 40 0 DGABMP c1ncc(CN[C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559939 432628081 /nfs/dbraw/zinc/62/80/81/432628081.db2.gz DBWMNLQTOBNVCP-NJAFHUGGSA-N 2 1 313.470 3.143 40 0 DGABMP c1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559939 432628083 /nfs/dbraw/zinc/62/80/83/432628083.db2.gz DBWMNLQTOBNVCP-NJAFHUGGSA-N 2 1 313.470 3.143 40 0 DGABMP c1ncc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000195559939 432628088 /nfs/dbraw/zinc/62/80/88/432628088.db2.gz DBWMNLQTOBNVCP-NJAFHUGGSA-N 2 1 313.470 3.143 40 0 DGABMP C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)C1 ZINC000072394700 191150108 /nfs/dbraw/zinc/15/01/08/191150108.db2.gz KNCLSRWZFJXARD-HUUCEWRRSA-N 2 1 312.461 3.262 40 0 DGABMP CC[NH+]1CCC([NH+]2CCC(C)(c3ncc(C)s3)CC2)CC1 ZINC000257276482 203003702 /nfs/dbraw/zinc/00/37/02/203003702.db2.gz NTXMLAKHSXGYTE-UHFFFAOYSA-N 2 1 307.507 3.289 40 0 DGABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295456 203021158 /nfs/dbraw/zinc/02/11/58/203021158.db2.gz QYIZUXDCWSEKKA-SFHVURJKSA-N 2 1 301.478 3.129 40 0 DGABMP CC[NH+]1CCC([N@H+]2CCC[C@@H](Cc3ccc(C)nc3)C2)CC1 ZINC000257295456 203021162 /nfs/dbraw/zinc/02/11/62/203021162.db2.gz QYIZUXDCWSEKKA-SFHVURJKSA-N 2 1 301.478 3.129 40 0 DGABMP CC[NH+](CC)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096206020 431942580 /nfs/dbraw/zinc/94/25/80/431942580.db2.gz QDHPLFQSJNMHEM-IAGOWNOFSA-N 2 1 308.491 3.213 40 0 DGABMP Fc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000096207662 431943084 /nfs/dbraw/zinc/94/30/84/431943084.db2.gz CYGQTVHSXNFQDC-PKOBYXMFSA-N 2 1 318.436 3.045 40 0 DGABMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1cc(C)ccc1C)CC2 ZINC000248121911 432268551 /nfs/dbraw/zinc/26/85/51/432268551.db2.gz KNKRYNAXLYAPJO-IBGZPJMESA-N 2 1 316.489 3.094 40 0 DGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257318831 432424831 /nfs/dbraw/zinc/42/48/31/432424831.db2.gz VPOKEPYVDPTRGA-LJQANCHMSA-N 2 1 324.472 3.226 40 0 DGABMP Cc1ncc(C[NH+](C)C)c([C@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257318831 432424834 /nfs/dbraw/zinc/42/48/34/432424834.db2.gz VPOKEPYVDPTRGA-LJQANCHMSA-N 2 1 324.472 3.226 40 0 DGABMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637915 655814302 /nfs/dbraw/zinc/81/43/02/655814302.db2.gz HYZZGQJOAHUDLM-RBUKOAKNSA-N 2 1 321.424 3.048 40 0 DGABMP C[N@@H+](C[C@@H]1CCC[C@@H]2C[NH+](Cc3nccs3)C[C@@H]21)C1CC1 ZINC000096081899 431938218 /nfs/dbraw/zinc/93/82/18/431938218.db2.gz QSCYHQQWRLCXLV-SQWLQELKSA-N 2 1 305.491 3.085 40 0 DGABMP C[NH+](C[C@@H]1CCC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21)C1CC1 ZINC000096081899 431938222 /nfs/dbraw/zinc/93/82/22/431938222.db2.gz QSCYHQQWRLCXLV-SQWLQELKSA-N 2 1 305.491 3.085 40 0 DGABMP C[NH+](C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21)C1CC1 ZINC000096081899 431938224 /nfs/dbraw/zinc/93/82/24/431938224.db2.gz QSCYHQQWRLCXLV-SQWLQELKSA-N 2 1 305.491 3.085 40 0 DGABMP CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000096215669 431942244 /nfs/dbraw/zinc/94/22/44/431942244.db2.gz QBVTVRKWSDXFRB-LJQANCHMSA-N 2 1 302.462 3.393 40 0 DGABMP CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(OC)c1)C2 ZINC000096215669 431942247 /nfs/dbraw/zinc/94/22/47/431942247.db2.gz QBVTVRKWSDXFRB-LJQANCHMSA-N 2 1 302.462 3.393 40 0 DGABMP CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(OC)c1)C2 ZINC000096215669 431942248 /nfs/dbraw/zinc/94/22/48/431942248.db2.gz QBVTVRKWSDXFRB-LJQANCHMSA-N 2 1 302.462 3.393 40 0 DGABMP CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000096215669 431942251 /nfs/dbraw/zinc/94/22/51/431942251.db2.gz QBVTVRKWSDXFRB-LJQANCHMSA-N 2 1 302.462 3.393 40 0 DGABMP Fc1ccccc1C[N@H+]1CC[C@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000096206810 431943137 /nfs/dbraw/zinc/94/31/37/431943137.db2.gz CYGQTVHSXNFQDC-IEBWSBKVSA-N 2 1 318.436 3.045 40 0 DGABMP Cc1nc2c(n1C(C)C)C[N@@H+](C)CC21CC[NH+](CC(C)C)CC1 ZINC000306123650 231084168 /nfs/dbraw/zinc/08/41/68/231084168.db2.gz ASZXAMVEWWXQKI-UHFFFAOYSA-N 2 1 318.509 3.207 40 0 DGABMP Cc1nc2c(n1C(C)C)C[N@H+](C)CC21CC[NH+](CC(C)C)CC1 ZINC000306123650 231084172 /nfs/dbraw/zinc/08/41/72/231084172.db2.gz ASZXAMVEWWXQKI-UHFFFAOYSA-N 2 1 318.509 3.207 40 0 DGABMP CCn1cc(-c2cncn2CCCn2cc[nH+]c2C(C)C)cn1 ZINC000072399282 191148863 /nfs/dbraw/zinc/14/88/63/191148863.db2.gz RNOPLKMJGWYSHH-UHFFFAOYSA-N 2 1 312.421 3.177 40 0 DGABMP CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216606 257125210 /nfs/dbraw/zinc/12/52/10/257125210.db2.gz VPRYVECOXSEGBR-GOSISDBHSA-N 2 1 316.493 3.161 40 0 DGABMP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000002042605 273638155 /nfs/dbraw/zinc/63/81/55/273638155.db2.gz ZVFMMJFXUUKKFN-ZDUSSCGKSA-N 2 1 307.825 3.003 40 0 DGABMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000096046652 431934981 /nfs/dbraw/zinc/93/49/81/431934981.db2.gz JQWDKBUDHNFDQB-UHFFFAOYSA-N 2 1 314.473 3.393 40 0 DGABMP Cn1cccc1C[NH+]1CCC2(CC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000096062856 431936452 /nfs/dbraw/zinc/93/64/52/431936452.db2.gz HDTVGTFJVMLJIC-UHFFFAOYSA-N 2 1 313.445 3.106 40 0 DGABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000049168823 431936967 /nfs/dbraw/zinc/93/69/67/431936967.db2.gz ICBZCYZSCLQTLI-LBPRGKRZSA-N 2 1 319.836 3.365 40 0 biogenic,in-vitro DGABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 ZINC000049168823 431936968 /nfs/dbraw/zinc/93/69/68/431936968.db2.gz ICBZCYZSCLQTLI-LBPRGKRZSA-N 2 1 319.836 3.365 40 0 biogenic,in-vitro DGABMP c1ncc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000195559936 432628568 /nfs/dbraw/zinc/62/85/68/432628568.db2.gz DBWMNLQTOBNVCP-BPQIPLTHSA-N 2 1 313.470 3.143 40 0 DGABMP c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000195559936 432628571 /nfs/dbraw/zinc/62/85/71/432628571.db2.gz DBWMNLQTOBNVCP-BPQIPLTHSA-N 2 1 313.470 3.143 40 0 DGABMP c1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000195559936 432628576 /nfs/dbraw/zinc/62/85/76/432628576.db2.gz DBWMNLQTOBNVCP-BPQIPLTHSA-N 2 1 313.470 3.143 40 0 DGABMP C[C@@H]1CCC[N@@H+](Cc2c3cccnc3[nH]c2C2CC[NH2+]CC2)C1 ZINC000072394684 191149006 /nfs/dbraw/zinc/14/90/06/191149006.db2.gz GWZYCPNARHGSEZ-CQSZACIVSA-N 2 1 312.461 3.262 40 0 DGABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCCCCC2)n1 ZINC000257309594 203035193 /nfs/dbraw/zinc/03/51/93/203035193.db2.gz UBNGBKFGVSBJFH-KRWDZBQOSA-N 2 1 302.466 3.398 40 0 DGABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2C2CCCCCC2)n1 ZINC000257309594 203035196 /nfs/dbraw/zinc/03/51/96/203035196.db2.gz UBNGBKFGVSBJFH-KRWDZBQOSA-N 2 1 302.466 3.398 40 0 DGABMP C[NH2+]CCC[NH2+]Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000007523941 181472181 /nfs/dbraw/zinc/47/21/81/181472181.db2.gz ACCSERDWRXUBCX-UHFFFAOYSA-N 2 1 320.458 3.035 40 0 DGABMP Cc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214014 182107668 /nfs/dbraw/zinc/10/76/68/182107668.db2.gz QDJOSCBNVODECI-LJQANCHMSA-N 2 1 322.456 3.076 40 0 DGABMP Cc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1C ZINC000019214014 182107669 /nfs/dbraw/zinc/10/76/69/182107669.db2.gz QDJOSCBNVODECI-LJQANCHMSA-N 2 1 322.456 3.076 40 0 DGABMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccccc1Cl)CC2 ZINC000247720548 432249370 /nfs/dbraw/zinc/24/93/70/432249370.db2.gz ADMXNQJNAULPTD-MRXNPFEDSA-N 2 1 322.880 3.130 40 0 DGABMP COC[C@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)[N@@H+]1C ZINC000096216364 431942910 /nfs/dbraw/zinc/94/29/10/431942910.db2.gz WNUFDSYXDRZLQU-OAHLLOKOSA-N 2 1 308.491 3.132 40 0 DGABMP COC[C@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)[N@H+]1C ZINC000096216364 431942912 /nfs/dbraw/zinc/94/29/12/431942912.db2.gz WNUFDSYXDRZLQU-OAHLLOKOSA-N 2 1 308.491 3.132 40 0 DGABMP Cc1nc(C[N@H+]2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386119 191144737 /nfs/dbraw/zinc/14/47/37/191144737.db2.gz KIVLZQNQZQPKLH-AWEZNQCLSA-N 2 1 316.474 3.210 40 0 DGABMP Cc1nc(C[N@@H+]2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386119 191144739 /nfs/dbraw/zinc/14/47/39/191144739.db2.gz KIVLZQNQZQPKLH-AWEZNQCLSA-N 2 1 316.474 3.210 40 0 DGABMP Cc1ncsc1C[N@@H+]1CC[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257299633 203024190 /nfs/dbraw/zinc/02/41/90/203024190.db2.gz RQWIMAYSBUVTQB-CQSZACIVSA-N 2 1 316.474 3.210 40 0 DGABMP CCCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216546 257125519 /nfs/dbraw/zinc/12/55/19/257125519.db2.gz XQFDWQDXWAUIQH-GOSISDBHSA-N 2 1 316.493 3.161 40 0 DGABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000008377136 431396827 /nfs/dbraw/zinc/39/68/27/431396827.db2.gz CEKLAYLPAADGAW-UHFFFAOYSA-N 2 1 308.809 3.308 40 0 DGABMP c1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000096216432 431942144 /nfs/dbraw/zinc/94/21/44/431942144.db2.gz ISSDFMOQFUVOFQ-HXUWFJFHSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)cc1 ZINC000096216432 431942145 /nfs/dbraw/zinc/94/21/45/431942145.db2.gz ISSDFMOQFUVOFQ-HXUWFJFHSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1 ZINC000096216432 431942147 /nfs/dbraw/zinc/94/21/47/431942147.db2.gz ISSDFMOQFUVOFQ-HXUWFJFHSA-N 2 1 314.473 3.263 40 0 DGABMP c1ccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000096216432 431942149 /nfs/dbraw/zinc/94/21/49/431942149.db2.gz ISSDFMOQFUVOFQ-HXUWFJFHSA-N 2 1 314.473 3.263 40 0 DGABMP C[N@@H+](Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CC[NH+](C)C1 ZINC000056682339 431988991 /nfs/dbraw/zinc/98/89/91/431988991.db2.gz DFNIKCRYFFWXPL-CYBMUJFWSA-N 2 1 303.837 3.272 40 0 DGABMP C[N@H+](Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CC[NH+](C)C1 ZINC000056682339 431988992 /nfs/dbraw/zinc/98/89/92/431988992.db2.gz DFNIKCRYFFWXPL-CYBMUJFWSA-N 2 1 303.837 3.272 40 0 DGABMP C[NH+](Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CC[N@H+](C)C1 ZINC000056682339 431988994 /nfs/dbraw/zinc/98/89/94/431988994.db2.gz DFNIKCRYFFWXPL-CYBMUJFWSA-N 2 1 303.837 3.272 40 0 DGABMP C[NH+](Cc1ccc2cccc(Cl)c2n1)C[C@@H]1CC[N@@H+](C)C1 ZINC000056682339 431988996 /nfs/dbraw/zinc/98/89/96/431988996.db2.gz DFNIKCRYFFWXPL-CYBMUJFWSA-N 2 1 303.837 3.272 40 0 DGABMP Cc1nc(C[N@H+]2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386118 191144762 /nfs/dbraw/zinc/14/47/62/191144762.db2.gz KIVLZQNQZQPKLH-CQSZACIVSA-N 2 1 316.474 3.210 40 0 DGABMP Cc1nc(C[N@@H+]2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cs1 ZINC000072386118 191144764 /nfs/dbraw/zinc/14/47/64/191144764.db2.gz KIVLZQNQZQPKLH-CQSZACIVSA-N 2 1 316.474 3.210 40 0 DGABMP c1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c1 ZINC000096049470 431935492 /nfs/dbraw/zinc/93/54/92/431935492.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[NH+]2CCC[C@@]3(C2)COCC[N@H+](CC2CC2)C3)c1 ZINC000096049470 431935494 /nfs/dbraw/zinc/93/54/94/431935494.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[N@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049470 431935496 /nfs/dbraw/zinc/93/54/96/431935496.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 2 1 320.502 3.073 40 0 DGABMP c1csc(C[N@@H+]2CCC[C@@]3(C2)COCC[NH+](CC2CC2)C3)c1 ZINC000096049470 431935498 /nfs/dbraw/zinc/93/54/98/431935498.db2.gz FVIPDGQCANHFOT-SFHVURJKSA-N 2 1 320.502 3.073 40 0 DGABMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)c2ccccc21 ZINC000261637919 656938051 /nfs/dbraw/zinc/93/80/51/656938051.db2.gz HYZZGQJOAHUDLM-RTBURBONSA-N 2 1 321.424 3.048 40 0 DGABMP CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1 ZINC000072216604 257125556 /nfs/dbraw/zinc/12/55/56/257125556.db2.gz QUWSAWOTOVJQMM-GOSISDBHSA-N 2 1 316.493 3.016 40 0 DGABMP Cc1nccn1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072378662 431335312 /nfs/dbraw/zinc/33/53/12/431335312.db2.gz XOBIANGRWQIJEI-SFHVURJKSA-N 2 1 319.412 3.308 40 0 DGABMP c1coc(CC[NH2+]C2CC[NH+](CCc3cccs3)CC2)c1 ZINC000014000469 431574772 /nfs/dbraw/zinc/57/47/72/431574772.db2.gz PAMXYVRNVSNAPZ-UHFFFAOYSA-N 2 1 304.459 3.180 40 0 DGABMP COc1ncccc1C[N@H+]1CCCC2(CC[NH+](C(C)C)CC2)C1 ZINC000096071784 431936877 /nfs/dbraw/zinc/93/68/77/431936877.db2.gz RGDCBQHESFSMIU-UHFFFAOYSA-N 2 1 317.477 3.177 40 0 DGABMP CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216422 431942800 /nfs/dbraw/zinc/94/28/00/431942800.db2.gz GISDWOVRTVANHP-LJQANCHMSA-N 2 1 302.462 3.263 40 0 DGABMP CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216422 431942802 /nfs/dbraw/zinc/94/28/02/431942802.db2.gz GISDWOVRTVANHP-LJQANCHMSA-N 2 1 302.462 3.263 40 0 DGABMP CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216422 431942805 /nfs/dbraw/zinc/94/28/05/431942805.db2.gz GISDWOVRTVANHP-LJQANCHMSA-N 2 1 302.462 3.263 40 0 DGABMP CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216422 431942807 /nfs/dbraw/zinc/94/28/07/431942807.db2.gz GISDWOVRTVANHP-LJQANCHMSA-N 2 1 302.462 3.263 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3ccnn3C(C)C)C2)c1 ZINC000257318505 203042595 /nfs/dbraw/zinc/04/25/95/203042595.db2.gz VOFVLJMUDWPYRX-HNNXBMFYSA-N 2 1 313.449 3.199 40 0 DGABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3ccnn3C(C)C)C2)c1 ZINC000257318506 203042838 /nfs/dbraw/zinc/04/28/38/203042838.db2.gz VOFVLJMUDWPYRX-OAHLLOKOSA-N 2 1 313.449 3.199 40 0 DGABMP CCOC(=O)[C@@H](C[NH3+])[C@]1([NH+](CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000216351787 400948455 /nfs/dbraw/zinc/94/84/55/400948455.db2.gz OCKDPBVSIVVMTJ-QGWWYQLQSA-N 2 1 324.509 3.051 40 0 DGABMP C[NH+](C)CCC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000007523971 431354314 /nfs/dbraw/zinc/35/43/14/431354314.db2.gz GOJQPLNAPMTLMN-UHFFFAOYSA-N 2 1 304.459 3.368 40 0 DGABMP c1coc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)c1 ZINC000096071143 431936526 /nfs/dbraw/zinc/93/65/26/431936526.db2.gz QUNFOHFTMXBPFG-UHFFFAOYSA-N 2 1 317.458 3.224 40 0 DGABMP c1coc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nccs2)CC3)c1 ZINC000096071143 431936529 /nfs/dbraw/zinc/93/65/29/431936529.db2.gz QUNFOHFTMXBPFG-UHFFFAOYSA-N 2 1 317.458 3.224 40 0 DGABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000049168946 431936782 /nfs/dbraw/zinc/93/67/82/431936782.db2.gz PBSBCXYHRUNEQA-ZDUSSCGKSA-N 2 1 301.459 3.180 40 0 biogenic,in-vitro DGABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4ccccc4s3)C2)CC1 ZINC000049168946 431936784 /nfs/dbraw/zinc/93/67/84/431936784.db2.gz PBSBCXYHRUNEQA-ZDUSSCGKSA-N 2 1 301.459 3.180 40 0 biogenic,in-vitro DGABMP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096251696 431944003 /nfs/dbraw/zinc/94/40/03/431944003.db2.gz AITYBBKTZHCYPH-UFYCRDLUSA-N 2 1 324.472 3.031 40 0 DGABMP CC(C)[N@@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096251696 431944005 /nfs/dbraw/zinc/94/40/05/431944005.db2.gz AITYBBKTZHCYPH-UFYCRDLUSA-N 2 1 324.472 3.031 40 0 DGABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096251696 431944006 /nfs/dbraw/zinc/94/40/06/431944006.db2.gz AITYBBKTZHCYPH-UFYCRDLUSA-N 2 1 324.472 3.031 40 0 DGABMP CC(C)[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]21 ZINC000096251696 431944008 /nfs/dbraw/zinc/94/40/08/431944008.db2.gz AITYBBKTZHCYPH-UFYCRDLUSA-N 2 1 324.472 3.031 40 0 DGABMP CC[NH+]1CCC2(C[C@@H]([NH2+]Cc3nccn3C)c3ccccc32)CC1 ZINC000096241437 431942890 /nfs/dbraw/zinc/94/28/90/431942890.db2.gz BPXFYPNRENOEDW-GOSISDBHSA-N 2 1 324.472 3.008 40 0 DGABMP COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](C(C)C)CC2 ZINC000585103317 400125991 /nfs/dbraw/zinc/12/59/91/400125991.db2.gz OGSURUXUCANURR-QGZVFWFLSA-N 2 1 322.518 3.317 40 0 DGABMP CCOC(=O)[C@H](C[NH3+])[C@]1([NH+](CC)CC)C[C@H]2CC[C@]1(C)C2(C)C ZINC000072210475 400375607 /nfs/dbraw/zinc/37/56/07/400375607.db2.gz OCKDPBVSIVVMTJ-WTLGNFPFSA-N 2 1 324.509 3.051 40 0 DGABMP COC[C@@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)[N@@H+]1C ZINC000096216366 431942607 /nfs/dbraw/zinc/94/26/07/431942607.db2.gz WNUFDSYXDRZLQU-HNNXBMFYSA-N 2 1 308.491 3.132 40 0 DGABMP COC[C@@H]1CCC2(CC[NH+](Cc3sccc3C)CC2)[N@H+]1C ZINC000096216366 431942610 /nfs/dbraw/zinc/94/26/10/431942610.db2.gz WNUFDSYXDRZLQU-HNNXBMFYSA-N 2 1 308.491 3.132 40 0 DGABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000096205885 431943147 /nfs/dbraw/zinc/94/31/47/431943147.db2.gz OBXXTYYJBSXFKD-NVXWUHKLSA-N 2 1 308.853 3.025 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@H+](Cc3csc(C)n3)C2)c1 ZINC000257302098 203027286 /nfs/dbraw/zinc/02/72/86/203027286.db2.gz SBNNGSQLXPDMTR-ZDUSSCGKSA-N 2 1 302.447 3.186 40 0 DGABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3csc(C)n3)C2)c1 ZINC000257302098 203027289 /nfs/dbraw/zinc/02/72/89/203027289.db2.gz SBNNGSQLXPDMTR-ZDUSSCGKSA-N 2 1 302.447 3.186 40 0 DGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@@H+]2CCc2ccccc2)n1 ZINC000257318830 203042901 /nfs/dbraw/zinc/04/29/01/203042901.db2.gz VPOKEPYVDPTRGA-IBGZPJMESA-N 2 1 324.472 3.226 40 0 DGABMP Cc1ncc(C[NH+](C)C)c([C@@H]2CCC[N@H+]2CCc2ccccc2)n1 ZINC000257318830 203042904 /nfs/dbraw/zinc/04/29/04/203042904.db2.gz VPOKEPYVDPTRGA-IBGZPJMESA-N 2 1 324.472 3.226 40 0 DGABMP CCCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216547 257125259 /nfs/dbraw/zinc/12/52/59/257125259.db2.gz XQFDWQDXWAUIQH-SFHVURJKSA-N 2 1 316.493 3.161 40 0 DGABMP CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1 ZINC000072216544 257125309 /nfs/dbraw/zinc/12/53/09/257125309.db2.gz LAWOIOBXQBVBHF-GOSISDBHSA-N 2 1 316.493 3.016 40 0 DGABMP COc1ccc2c(c1)CC1(CC2)CC[NH+](CCC[NH+](C)C)CC1 ZINC000001637894 286388019 /nfs/dbraw/zinc/38/80/19/286388019.db2.gz NCAHBRFKABBQAP-UHFFFAOYSA-N 2 1 316.489 3.218 40 0 DGABMP C[N@@H+](Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[NH+](C)C1 ZINC000056682337 431988628 /nfs/dbraw/zinc/98/86/28/431988628.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 2 1 303.837 3.272 40 0 DGABMP C[N@H+](Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[NH+](C)C1 ZINC000056682337 431988631 /nfs/dbraw/zinc/98/86/31/431988631.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 2 1 303.837 3.272 40 0 DGABMP C[NH+](Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[N@H+](C)C1 ZINC000056682337 431988633 /nfs/dbraw/zinc/98/86/33/431988633.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 2 1 303.837 3.272 40 0 DGABMP C[NH+](Cc1ccc2cccc(Cl)c2n1)C[C@H]1CC[N@@H+](C)C1 ZINC000056682337 431988636 /nfs/dbraw/zinc/98/86/36/431988636.db2.gz DFNIKCRYFFWXPL-ZDUSSCGKSA-N 2 1 303.837 3.272 40 0 DGABMP