smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(N(C)C)nc3)no2)c(O)c1 ZINC000035426306 204205769 /nfs/dbraw/zinc/20/57/69/204205769.db2.gz LDOWDZYOGVPBFQ-KRWDZBQOSA-N 1 0 395.463 3.249 40 10 biogenic,in-vitro GGCBRO CCOc1ccccc1[N+]1=C2SCCCN2[C@](O)(c2ccc(OC)cc2)C1 ZINC000027525072 206011789 /nfs/dbraw/zinc/01/17/89/206011789.db2.gz BTZHVMUKZUKXEV-OAQYLSRUSA-N 1 0 385.509 3.265 40 10 GGCBRO O[C@@]1(c2ccccc2OC(F)F)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000027525112 206012530 /nfs/dbraw/zinc/01/25/30/206012530.db2.gz JISPRYIOYPLTGN-LJQANCHMSA-N 1 0 377.436 3.459 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)CC1 ZINC000225776664 206076249 /nfs/dbraw/zinc/07/62/49/206076249.db2.gz GYHFAORDPGUIHA-UHFFFAOYSA-N 1 0 376.476 3.203 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)CC1 ZINC000225776696 206076408 /nfs/dbraw/zinc/07/64/08/206076408.db2.gz AIAOVPCZVMGYEW-UHFFFAOYSA-N 1 0 376.476 3.203 40 10 GGCBRO CC[NH+](CC)CCN(C(=O)C(C)C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000057744311 136154045 /nfs/dbraw/zinc/15/40/45/136154045.db2.gz WKRHXNCINSNFAL-UHFFFAOYSA-N 1 0 375.557 3.490 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)CC1 ZINC000222609317 136204908 /nfs/dbraw/zinc/20/49/08/136204908.db2.gz UTLDATGCGBLRIL-UHFFFAOYSA-N 1 0 393.531 3.012 40 10 GGCBRO CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCCSC ZINC000015672853 560230585 /nfs/dbraw/zinc/23/05/85/560230585.db2.gz JNNPSHBQWZVPBH-HOTGVXAUSA-N 1 0 380.554 3.118 40 10 biogenic,in-vitro GGCBRO CCOC(=O)c1[s+]c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2c1C ZINC000001636459 564185746 /nfs/dbraw/zinc/18/57/46/564185746.db2.gz NFRKBWQUXLOCMO-XYOKQWHBSA-N 1 0 377.423 3.216 40 10 GGCBRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019792305 564304567 /nfs/dbraw/zinc/30/45/67/564304567.db2.gz YNTXNYUEXYOHDS-OWCLPIDISA-N 1 0 377.326 3.485 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CC1 ZINC000049740627 564553524 /nfs/dbraw/zinc/55/35/24/564553524.db2.gz BLNNFBGYZUUTQF-UHFFFAOYSA-N 1 0 388.309 3.131 40 10 GGCBRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217024653 570311423 /nfs/dbraw/zinc/31/14/23/570311423.db2.gz LVJKOALWDPZCOX-FQEVSTJZSA-N 1 0 395.547 3.447 40 10 GGCBRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217023442 570311473 /nfs/dbraw/zinc/31/14/73/570311473.db2.gz FTJXOZPRLWLXBI-MRXNPFEDSA-N 1 0 387.911 3.176 40 10 GGCBRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217033690 570312440 /nfs/dbraw/zinc/31/24/40/570312440.db2.gz FOCVQEOMOSYZGT-LJQANCHMSA-N 1 0 381.520 3.139 40 10 GGCBRO COc1ccc(N2CCN([C@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)cc1 ZINC000057669782 570367204 /nfs/dbraw/zinc/36/72/04/570367204.db2.gz MPRLUGVIOOIYFZ-LJQANCHMSA-N 1 0 386.544 3.346 40 10 GGCBRO COc1cc(Oc2c(OC)ccc3c2CN(C)CC3)c2c(c1O)C[N@@H+](C)CC2 ZINC000024717716 570390638 /nfs/dbraw/zinc/39/06/38/570390638.db2.gz UXTYMQATOWDJAV-UHFFFAOYSA-N 1 0 384.476 3.178 40 10 GGCBRO CCOC(=O)N1CCN([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 ZINC000019681933 570544319 /nfs/dbraw/zinc/54/43/19/570544319.db2.gz GGKDGGOBULIRBB-HXUWFJFHSA-N 1 0 392.459 3.199 40 10 GGCBRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000019527129 570997852 /nfs/dbraw/zinc/99/78/52/570997852.db2.gz LICWHZOUTHJVLI-XMMPIXPASA-N 1 0 394.563 3.405 40 10 GGCBRO COc1ccccc1C1(O)CC[NH+](Cc2ccc(N3CCOCC3)cc2C)CC1 ZINC000019570644 571009734 /nfs/dbraw/zinc/00/97/34/571009734.db2.gz VAZSSLNJKUMAIN-UHFFFAOYSA-N 1 0 396.531 3.324 40 10 GGCBRO COc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000009062798 1398853421 /nfs/dbraw/zinc/85/34/21/1398853421.db2.gz GEENEGOKCJSFLM-UHFFFAOYSA-N 1 0 393.531 3.256 40 10 GGCBRO COc1cccc(C[NH+]2CCC(C(=O)N[C@@H](C)CCCC(C)(C)O)CC2)c1O ZINC000199402457 1433352820 /nfs/dbraw/zinc/35/28/20/1433352820.db2.gz URQRFPNNGFIRIU-INIZCTEOSA-N 1 0 392.540 3.059 40 10 GGCBRO COc1ccc([C@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1OC ZINC000017135509 207085879 /nfs/dbraw/zinc/08/58/79/207085879.db2.gz LKIJIAGQIVQFLO-OAQYLSRUSA-N 1 0 385.509 3.183 40 10 GGCBRO CN(C)c1ccc(CNC(=O)[C@@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000096156835 208278490 /nfs/dbraw/zinc/27/84/90/208278490.db2.gz QXRYEIIYVOPTRK-HXUWFJFHSA-N 1 0 379.504 3.057 40 10 GGCBRO CN(C)c1ccc(CNC(=O)[C@H]2CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000096156836 208278506 /nfs/dbraw/zinc/27/85/06/208278506.db2.gz QXRYEIIYVOPTRK-FQEVSTJZSA-N 1 0 379.504 3.057 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000022298826 136203614 /nfs/dbraw/zinc/20/36/14/136203614.db2.gz HIKKSQKDDUVSIB-QFIPXVFZSA-N 1 0 392.499 3.410 40 10 GGCBRO COc1cccc2cc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)cc3)oc21 ZINC000218620584 136203845 /nfs/dbraw/zinc/20/38/45/136203845.db2.gz GAYAFNGUMMWECI-UHFFFAOYSA-N 1 0 379.460 3.123 40 10 GGCBRO CC(C)c1ccccc1OCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000222815431 136205001 /nfs/dbraw/zinc/20/50/01/136205001.db2.gz TVOFOPSRERDZAV-UHFFFAOYSA-N 1 0 381.520 3.257 40 10 GGCBRO COc1ccc(CCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000224421093 136207029 /nfs/dbraw/zinc/20/70/29/136207029.db2.gz AOYVLVZXZKKDEF-UHFFFAOYSA-N 1 0 381.520 3.004 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)cc1 ZINC000022298822 536699395 /nfs/dbraw/zinc/69/93/95/536699395.db2.gz HIKKSQKDDUVSIB-JOCHJYFZSA-N 1 0 392.499 3.410 40 10 GGCBRO CCN(CC)Cc1nc(C2(O)CC[NH+](Cc3ccccc3O)CC2)cs1 ZINC000225463166 560043389 /nfs/dbraw/zinc/04/33/89/560043389.db2.gz GWAFZXZIRNQUSS-UHFFFAOYSA-N 1 0 375.538 3.174 40 10 biogenic,in-vitro GGCBRO C[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000216945969 570309896 /nfs/dbraw/zinc/30/98/96/570309896.db2.gz OTYAQTFDYHQCFZ-INIZCTEOSA-N 1 0 387.911 3.176 40 10 GGCBRO CC(C)c1ccc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000217012119 570310994 /nfs/dbraw/zinc/31/09/94/570310994.db2.gz UHMSITZSEUDLCT-UHFFFAOYSA-N 1 0 381.520 3.257 40 10 GGCBRO Cc1cc(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000217011511 570311261 /nfs/dbraw/zinc/31/12/61/570311261.db2.gz UXQANSUQACRYPW-UHFFFAOYSA-N 1 0 387.911 3.095 40 10 GGCBRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217023484 570311494 /nfs/dbraw/zinc/31/14/94/570311494.db2.gz FTJXOZPRLWLXBI-INIZCTEOSA-N 1 0 387.911 3.176 40 10 GGCBRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217026954 570312104 /nfs/dbraw/zinc/31/21/04/570312104.db2.gz JRINHGGRYSPEAA-NRFANRHFSA-N 1 0 385.483 3.051 40 10 GGCBRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217034446 570312261 /nfs/dbraw/zinc/31/22/61/570312261.db2.gz HIHWLWDNGNTDEY-HXUWFJFHSA-N 1 0 385.483 3.051 40 10 GGCBRO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217034484 570312425 /nfs/dbraw/zinc/31/24/25/570312425.db2.gz HIHWLWDNGNTDEY-FQEVSTJZSA-N 1 0 385.483 3.051 40 10 GGCBRO COc1ccc(N2CCN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000038851110 570587776 /nfs/dbraw/zinc/58/77/76/570587776.db2.gz YNRPTGOVMHXLTB-NRFANRHFSA-N 1 0 393.531 3.256 40 10 GGCBRO CCOc1ccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000225775954 570616320 /nfs/dbraw/zinc/61/63/20/570616320.db2.gz PYMDTGMECOMYMD-UHFFFAOYSA-N 1 0 384.549 3.324 40 10 GGCBRO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000047423598 570956161 /nfs/dbraw/zinc/95/61/61/570956161.db2.gz WPZWOUMQAKAWLG-UHFFFAOYSA-N 1 0 381.520 3.279 40 10 GGCBRO CCOc1ccc(O)c(CN2CC[NH+](Cc3cc(OCC)ccc3O)CC2)c1 ZINC000019365165 210243570 /nfs/dbraw/zinc/24/35/70/210243570.db2.gz YRSGYTGLYBMKPN-UHFFFAOYSA-N 1 0 386.492 3.213 40 10 GGCBRO COc1ccc([C@@]2(O)CN(c3cccc(C)c3)C3=[N+]2CCCS3)cc1OC ZINC000017135508 210206002 /nfs/dbraw/zinc/20/60/02/210206002.db2.gz LKIJIAGQIVQFLO-NRFANRHFSA-N 1 0 385.509 3.183 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000055501560 212059201 /nfs/dbraw/zinc/05/92/01/212059201.db2.gz UBJHMGJIUMQJAG-CZTZKLFOSA-N 1 0 390.568 3.410 40 10 GGCBRO CCOc1cccc(NC(=S)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000225776800 211925823 /nfs/dbraw/zinc/92/58/23/211925823.db2.gz WKVJYZOHONCGCY-UHFFFAOYSA-N 1 0 384.549 3.324 40 10 GGCBRO CN(Cc1cc(CC2([NH2+]Cc3ccccc3O)COC2)no1)Cc1ccccc1 ZINC000067898129 210328952 /nfs/dbraw/zinc/32/89/52/210328952.db2.gz SUENATOCJWVQGZ-UHFFFAOYSA-N 1 0 393.487 3.114 40 10 biogenic,in-vitro GGCBRO CN1CCCC[C@@](C)(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000072372038 136169045 /nfs/dbraw/zinc/16/90/45/136169045.db2.gz CCAMRHWQCPVBRM-DEOSSOPVSA-N 1 0 399.579 3.384 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 ZINC000020347299 536698132 /nfs/dbraw/zinc/69/81/32/536698132.db2.gz UBJHMGJIUMQJAG-SYYKKAFVSA-N 1 0 390.568 3.410 40 10 GGCBRO COc1ccc(-c2cc(CC3([NH2+]Cc4ccc(OC)cc4O)COC3)no2)cc1 ZINC000072321955 560076395 /nfs/dbraw/zinc/07/63/95/560076395.db2.gz AUIAZGYZMCTKPV-UHFFFAOYSA-N 1 0 396.443 3.166 40 10 biogenic,in-vitro GGCBRO Cc1cc(C)c(S(=O)(=O)Nc2cc(SC(N)=[NH2+])c(O)cc2C)c(C)c1 ZINC000005516240 564217817 /nfs/dbraw/zinc/21/78/17/564217817.db2.gz HZNQQISHRBNTHP-UHFFFAOYSA-N 1 0 379.507 3.412 40 10 GGCBRO Cc1ccc(OCCCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000216946683 570310243 /nfs/dbraw/zinc/31/02/43/570310243.db2.gz GDZQRVMVYUPDLN-UHFFFAOYSA-N 1 0 381.520 3.222 40 10 GGCBRO CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217023871 570311568 /nfs/dbraw/zinc/31/15/68/570311568.db2.gz URPHGEZDCKHJTE-GOSISDBHSA-N 1 0 381.520 3.085 40 10 GGCBRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217026913 570312010 /nfs/dbraw/zinc/31/20/10/570312010.db2.gz JRINHGGRYSPEAA-OAQYLSRUSA-N 1 0 385.483 3.051 40 10 GGCBRO CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217034934 570312250 /nfs/dbraw/zinc/31/22/50/570312250.db2.gz ZGVOWWRKGFASSK-JOCHJYFZSA-N 1 0 381.520 3.221 40 10 GGCBRO COc1ccc(C2([NH2+]Cc3ccc(OC)c(CN4CCOCC4)c3)CC2)cc1 ZINC000012238639 570629542 /nfs/dbraw/zinc/62/95/42/570629542.db2.gz RLVFRMUHEHAJDB-UHFFFAOYSA-N 1 0 382.504 3.315 40 10 GGCBRO COCCN1CC=CCC2(CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1=O ZINC000019744770 1399338186 /nfs/dbraw/zinc/33/81/86/1399338186.db2.gz YDPBITKKRMOKIJ-UHFFFAOYSA-N 1 0 397.563 3.304 40 10 GGCBRO COc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)CC2)cc1 ZINC000027979849 1400114721 /nfs/dbraw/zinc/11/47/21/1400114721.db2.gz CTODCHJVWNCTDJ-UHFFFAOYSA-N 1 0 383.492 3.237 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)CC1 ZINC000096125648 136183980 /nfs/dbraw/zinc/18/39/80/136183980.db2.gz NRTGBUSJNLJUPS-UHFFFAOYSA-N 1 0 393.531 3.012 40 10 GGCBRO Cc1ccc(CSCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000216928566 136203104 /nfs/dbraw/zinc/20/31/04/136203104.db2.gz OELWGSQQSMXUBD-UHFFFAOYSA-N 1 0 383.561 3.296 40 10 GGCBRO COc1ccc(C[NH2+]C2(Cc3cc(-c4ccc(F)cc4)on3)COC2)c(O)c1 ZINC000067897873 222167746 /nfs/dbraw/zinc/16/77/46/222167746.db2.gz VAGQLAONRPSTAD-UHFFFAOYSA-N 1 0 384.407 3.296 40 10 biogenic,in-vitro GGCBRO COc1ccc(N2CC[NH+](CCCNC(=O)NCc3ccc(C)cc3)CC2)cc1 ZINC000040058081 536696202 /nfs/dbraw/zinc/69/62/02/536696202.db2.gz GOWCPZMCMUSDQA-UHFFFAOYSA-N 1 0 396.535 3.015 40 10 GGCBRO CCOC(=O)c1[s+]c2sc(=Cc3ccc([N+](=O)[O-])cc3)c(=O)n2c1C ZINC000005853265 564219696 /nfs/dbraw/zinc/21/96/96/564219696.db2.gz NFRKBWQUXLOCMO-WQLSENKSSA-N 1 0 377.423 3.216 40 10 GGCBRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]32)cc1 ZINC000096244872 570224081 /nfs/dbraw/zinc/22/40/81/570224081.db2.gz SJNYEJROFDBSRH-NQIIRXRSSA-N 1 0 383.923 3.291 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000217011281 570311131 /nfs/dbraw/zinc/31/11/31/570311131.db2.gz ICTHUKVPVQIGMD-UHFFFAOYSA-N 1 0 395.547 3.431 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)CSCc3ccc(F)cc3)cc2)CC1 ZINC000217019413 570311552 /nfs/dbraw/zinc/31/15/52/570311552.db2.gz PGYAPRUSBBCKFQ-UHFFFAOYSA-N 1 0 387.524 3.127 40 10 GGCBRO CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217025769 570311804 /nfs/dbraw/zinc/31/18/04/570311804.db2.gz UTNBKHOQURBTOW-OAQYLSRUSA-N 1 0 381.520 3.221 40 10 GGCBRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000032765963 570394147 /nfs/dbraw/zinc/39/41/47/570394147.db2.gz WRULUPYYUAUTLK-MDWZMJQESA-N 1 0 379.504 3.037 40 10 GGCBRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC000257200778 570760276 /nfs/dbraw/zinc/76/02/76/570760276.db2.gz AEVPYHCBVZBNQM-GOSISDBHSA-N 1 0 381.524 3.091 40 10 GGCBRO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000257310234 570780052 /nfs/dbraw/zinc/78/00/52/570780052.db2.gz UEGXDRXIPCPPGT-LJQANCHMSA-N 1 0 395.551 3.481 40 10 GGCBRO CCN(CC)c1ccc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000019526501 570997423 /nfs/dbraw/zinc/99/74/23/570997423.db2.gz MDFYIOQGBNACTG-UHFFFAOYSA-N 1 0 389.503 3.236 40 10 GGCBRO COc1ccc(-n2c(C)cc(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3CCO)c2C)cc1 ZINC000019567539 571008882 /nfs/dbraw/zinc/00/88/82/571008882.db2.gz XZZUFNMDXRNGBQ-YADHBBJMSA-N 1 0 383.536 3.134 40 10 GGCBRO Cc1cc(N2CCOCC2)ccc1C[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019715735 571037985 /nfs/dbraw/zinc/03/79/85/571037985.db2.gz YCSMRTLCXFOQFQ-UHFFFAOYSA-N 1 0 395.547 3.300 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)COc3c(C)cc(C)cc3C)CC2)cc1 ZINC000020807141 1399353698 /nfs/dbraw/zinc/35/36/98/1399353698.db2.gz XNNUCFARPYMRBC-OAQYLSRUSA-N 1 0 384.520 3.182 40 10 GGCBRO O[C@@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2SCCN21 ZINC000022404213 1399461064 /nfs/dbraw/zinc/46/10/64/1399461064.db2.gz UFXMGYGSMNDTNU-QGZVFWFLSA-N 1 0 376.299 3.230 40 10 GGCBRO COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(OC)nc3)no2)c(O)c1 ZINC000035425903 204195786 /nfs/dbraw/zinc/19/57/86/204195786.db2.gz GWKISMSCBAIIRC-INIZCTEOSA-N 1 0 382.420 3.192 40 10 biogenic,in-vitro GGCBRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(N4CCOCC4)c(F)c3)CC2)cc1 ZINC000012292819 204389610 /nfs/dbraw/zinc/38/96/10/204389610.db2.gz JALBDPVIGBOYTM-UHFFFAOYSA-N 1 0 384.495 3.454 40 10 GGCBRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000217032744 205936094 /nfs/dbraw/zinc/93/60/94/205936094.db2.gz VBQDWQSQDQOHPV-LJQANCHMSA-N 1 0 381.520 3.139 40 10 GGCBRO CCOc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1Cl ZINC000225779501 206075762 /nfs/dbraw/zinc/07/57/62/206075762.db2.gz AKCTUODUVWOECR-UHFFFAOYSA-N 1 0 387.911 3.421 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)CC1 ZINC000225776473 206076323 /nfs/dbraw/zinc/07/63/23/206076323.db2.gz NZAPTFIIJAYKBY-UHFFFAOYSA-N 1 0 376.476 3.203 40 10 GGCBRO COc1ccc(N2CC[NH+](CCCNC(=O)/C=C/c3cccs3)CC2)cc1 ZINC000032765932 206093823 /nfs/dbraw/zinc/09/38/23/206093823.db2.gz PAVDVYGMNWGFSM-MDZDMXLPSA-N 1 0 385.533 3.098 40 10 GGCBRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC000257200779 206157124 /nfs/dbraw/zinc/15/71/24/206157124.db2.gz AEVPYHCBVZBNQM-SFHVURJKSA-N 1 0 381.524 3.091 40 10 GGCBRO C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000216945948 136203273 /nfs/dbraw/zinc/20/32/73/136203273.db2.gz OTYAQTFDYHQCFZ-MRXNPFEDSA-N 1 0 387.911 3.176 40 10 GGCBRO COc1ccc(N2CC[NH+](CCCNc3ncnc4ccccc43)CC2)cc1 ZINC000040004990 536696096 /nfs/dbraw/zinc/69/60/96/536696096.db2.gz JVJFNTVQNZWRAL-UHFFFAOYSA-N 1 0 377.492 3.263 40 10 GGCBRO Oc1ccc(Br)cc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019792304 564303873 /nfs/dbraw/zinc/30/38/73/564303873.db2.gz YNTXNYUEXYOHDS-PMPSAXMXSA-N 1 0 377.326 3.485 40 10 GGCBRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000217025467 570311620 /nfs/dbraw/zinc/31/16/20/570311620.db2.gz PAOHAUHVGQCHHP-IBGZPJMESA-N 1 0 381.520 3.139 40 10 GGCBRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000217032704 570311994 /nfs/dbraw/zinc/31/19/94/570311994.db2.gz VBQDWQSQDQOHPV-IBGZPJMESA-N 1 0 381.520 3.139 40 10 GGCBRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000217033214 570312336 /nfs/dbraw/zinc/31/23/36/570312336.db2.gz UMCAWGGBSZCKGK-LJQANCHMSA-N 1 0 381.520 3.139 40 10 GGCBRO Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)cc1 ZINC000001833879 570587975 /nfs/dbraw/zinc/58/79/75/570587975.db2.gz SUAYAPAAGSBJKU-DTQAZKPQSA-N 1 0 392.546 3.081 40 10 GGCBRO Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1[C@H]1CCS(=O)(=O)C1 ZINC000005444632 570595094 /nfs/dbraw/zinc/59/50/94/570595094.db2.gz OTBNHLYVOMUJFL-KRWDZBQOSA-N 1 0 387.550 3.420 40 10 GGCBRO COc1ccc(C2([NH2+]Cc3cc(OC)c(N4CCOCC4)cc3OC)CC2)cc1 ZINC000012361936 570646370 /nfs/dbraw/zinc/64/63/70/570646370.db2.gz KNPINKRFPQIDEN-UHFFFAOYSA-N 1 0 398.503 3.328 40 10 GGCBRO CCN(CC)c1ccc(OC)c(/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000012411674 570666936 /nfs/dbraw/zinc/66/69/36/570666936.db2.gz WANDOPWOLNWMBM-UYRXBGFRSA-N 1 0 379.485 3.312 40 10 GGCBRO CC(=O)N1CCc2nc([C@H]3CCCCN3Cc3cc(C)ccc3O)ncc2C1 ZINC000019133528 570958441 /nfs/dbraw/zinc/95/84/41/570958441.db2.gz ODOBZPJWOJACHK-HXUWFJFHSA-N 1 0 380.492 3.122 40 10 GGCBRO COc1ccc(-n2c(C)cc(CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3CCO)c2C)cc1 ZINC000019567537 571008802 /nfs/dbraw/zinc/00/88/02/571008802.db2.gz XZZUFNMDXRNGBQ-VXKWHMMOSA-N 1 0 383.536 3.134 40 10 GGCBRO O[C@@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000002921882 1398321877 /nfs/dbraw/zinc/32/18/77/1398321877.db2.gz CWKKPPADRMBSBL-LJQANCHMSA-N 1 0 377.436 3.459 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)CSCc3ccccc3F)cc2)CC1 ZINC000222714425 136204960 /nfs/dbraw/zinc/20/49/60/136204960.db2.gz HSBAKRUQLSWCQX-UHFFFAOYSA-N 1 0 387.524 3.127 40 10 GGCBRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217015321 570310983 /nfs/dbraw/zinc/31/09/83/570310983.db2.gz JOSZTJOFHVBGII-IBGZPJMESA-N 1 0 381.520 3.139 40 10 GGCBRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217015368 570311257 /nfs/dbraw/zinc/31/12/57/570311257.db2.gz JOSZTJOFHVBGII-LJQANCHMSA-N 1 0 381.520 3.139 40 10 GGCBRO COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000217017786 570311626 /nfs/dbraw/zinc/31/16/26/570311626.db2.gz REVYTYAEOXRJCN-QGZVFWFLSA-N 1 0 399.560 3.244 40 10 GGCBRO CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217034974 570312476 /nfs/dbraw/zinc/31/24/76/570312476.db2.gz ZGVOWWRKGFASSK-QFIPXVFZSA-N 1 0 381.520 3.221 40 10 GGCBRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@H](C)O)cc1OC ZINC000012147955 570617229 /nfs/dbraw/zinc/61/72/29/570617229.db2.gz ZAKAGJKDCKSWSD-KRWDZBQOSA-N 1 0 384.520 3.469 40 10 GGCBRO O[C@]1(c2ccc(OC(F)F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000002921880 1398321937 /nfs/dbraw/zinc/32/19/37/1398321937.db2.gz CWKKPPADRMBSBL-IBGZPJMESA-N 1 0 377.436 3.459 40 10 GGCBRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 ZINC000019527130 210257068 /nfs/dbraw/zinc/25/70/68/210257068.db2.gz LICWHZOUTHJVLI-DEOSSOPVSA-N 1 0 394.563 3.405 40 10 GGCBRO CN(C)c1ccc(/C=C/c2cc(N(CCO)CCO)c3ccccc3[nH+]2)cc1 ZINC000017121633 210204232 /nfs/dbraw/zinc/20/42/32/210204232.db2.gz XHGZQOSNKUCYTN-JXMROGBWSA-N 1 0 377.488 3.262 40 10 GGCBRO COc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4O)CCN3C(C)(C)C2)cc1 ZINC000253400525 209217194 /nfs/dbraw/zinc/21/71/94/209217194.db2.gz LHUWQALULPRBPW-NRFANRHFSA-N 1 0 395.547 3.181 40 10 biogenic,in-vitro GGCBRO Cc1cc(C=C2Sc3ccccc3N2C)cc(C)[n+]1[C@@H]1CCS(=O)(=O)C1 ZINC000003206581 211519994 /nfs/dbraw/zinc/51/99/94/211519994.db2.gz OTBNHLYVOMUJFL-QGZVFWFLSA-N 1 0 387.550 3.420 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@H](O)COc3c(C)cc(C)cc3C)CC2)cc1 ZINC000020807144 210362911 /nfs/dbraw/zinc/36/29/11/210362911.db2.gz XNNUCFARPYMRBC-NRFANRHFSA-N 1 0 384.520 3.182 40 10 GGCBRO Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000014521651 136201548 /nfs/dbraw/zinc/20/15/48/136201548.db2.gz SYZSDEMYZTWXSE-UHFFFAOYSA-N 1 0 389.503 3.493 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)COc3ccccc3C(C)(C)C)cc2)CC1 ZINC000222804087 136205092 /nfs/dbraw/zinc/20/50/92/136205092.db2.gz RGNKXBHNYIDYLY-UHFFFAOYSA-N 1 0 395.547 3.431 40 10 GGCBRO CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000222903861 136205140 /nfs/dbraw/zinc/20/51/40/136205140.db2.gz GOVBFRMZJAIZMQ-HSZRJFAPSA-N 1 0 395.547 3.475 40 10 GGCBRO CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000222903793 136205163 /nfs/dbraw/zinc/20/51/63/136205163.db2.gz GOVBFRMZJAIZMQ-QHCPKHFHSA-N 1 0 395.547 3.475 40 10 GGCBRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccccc3O)n2)cn1 ZINC000035425442 560080226 /nfs/dbraw/zinc/08/02/26/560080226.db2.gz JURYGUBYJURYAK-KRWDZBQOSA-N 1 0 396.447 3.200 40 10 biogenic,in-vitro GGCBRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]32)cc1 ZINC000107249364 570309017 /nfs/dbraw/zinc/30/90/17/570309017.db2.gz SJNYEJROFDBSRH-GHTZIAJQSA-N 1 0 383.923 3.291 40 10 GGCBRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@H]32)cc1 ZINC000107249360 570309146 /nfs/dbraw/zinc/30/91/46/570309146.db2.gz SJNYEJROFDBSRH-WIYYLYMNSA-N 1 0 383.923 3.291 40 10 GGCBRO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1C ZINC000217025505 570311521 /nfs/dbraw/zinc/31/15/21/570311521.db2.gz PAOHAUHVGQCHHP-LJQANCHMSA-N 1 0 381.520 3.139 40 10 GGCBRO COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000217017745 570311546 /nfs/dbraw/zinc/31/15/46/570311546.db2.gz REVYTYAEOXRJCN-KRWDZBQOSA-N 1 0 399.560 3.244 40 10 GGCBRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217024693 570311582 /nfs/dbraw/zinc/31/15/82/570311582.db2.gz LVJKOALWDPZCOX-HXUWFJFHSA-N 1 0 395.547 3.447 40 10 GGCBRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000217033177 570312298 /nfs/dbraw/zinc/31/22/98/570312298.db2.gz UMCAWGGBSZCKGK-IBGZPJMESA-N 1 0 381.520 3.139 40 10 GGCBRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217033652 570312351 /nfs/dbraw/zinc/31/23/51/570312351.db2.gz FOCVQEOMOSYZGT-IBGZPJMESA-N 1 0 381.520 3.139 40 10 GGCBRO COc1ccc(N2CCN([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)cc1 ZINC000057669780 570367168 /nfs/dbraw/zinc/36/71/68/570367168.db2.gz MPRLUGVIOOIYFZ-IBGZPJMESA-N 1 0 386.544 3.346 40 10 GGCBRO Oc1ccc2ccccc2c1C[NH+]1CCN(Cc2nnc3n2CCCCC3)CC1 ZINC000022846758 570378112 /nfs/dbraw/zinc/37/81/12/570378112.db2.gz YDYXYFUSMALJTB-UHFFFAOYSA-N 1 0 391.519 3.181 40 10 GGCBRO COc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000038851107 570587863 /nfs/dbraw/zinc/58/78/63/570587863.db2.gz YNRPTGOVMHXLTB-OAQYLSRUSA-N 1 0 393.531 3.256 40 10 GGCBRO CCOc1cccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1O ZINC000012187350 570621277 /nfs/dbraw/zinc/62/12/77/570621277.db2.gz AISLPKLAULKUAV-UHFFFAOYSA-N 1 0 395.463 3.319 40 10 GGCBRO Cc1oc2c(c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(=O)c1ccccc1C2=O ZINC000005611833 570897846 /nfs/dbraw/zinc/89/78/46/570897846.db2.gz QCKNHTVDIZPVBT-UHFFFAOYSA-N 1 0 394.471 3.402 40 10 GGCBRO O[C@]1(c2ccccc2)C[N+](c2ccc(Br)cc2)=C2SCCN21 ZINC000022404215 1399461111 /nfs/dbraw/zinc/46/11/11/1399461111.db2.gz UFXMGYGSMNDTNU-KRWDZBQOSA-N 1 0 376.299 3.230 40 10 GGCBRO O[C@]1(c2ccccc2OC(F)F)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000027525113 1400050328 /nfs/dbraw/zinc/05/03/28/1400050328.db2.gz JISPRYIOYPLTGN-IBGZPJMESA-N 1 0 377.436 3.459 40 10 GGCBRO COc1cccc(C[NH+]2CCC(C(=O)N[C@H](C)CCCC(C)(C)O)CC2)c1O ZINC000199402471 1433352859 /nfs/dbraw/zinc/35/28/59/1433352859.db2.gz URQRFPNNGFIRIU-MRXNPFEDSA-N 1 0 392.540 3.059 40 10 GGCBRO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000257310233 222775156 /nfs/dbraw/zinc/77/51/56/222775156.db2.gz UEGXDRXIPCPPGT-IBGZPJMESA-N 1 0 395.551 3.481 40 10 GGCBRO COc1ccc(C[N@@H+](Cc2ccc3c(c2)CCCN3C)C[C@@H](C)O)cc1OC ZINC000012147954 221160745 /nfs/dbraw/zinc/16/07/45/221160745.db2.gz ZAKAGJKDCKSWSD-QGZVFWFLSA-N 1 0 384.520 3.469 40 10 GGCBRO Cc1ccccc1CSCC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000216928452 136203094 /nfs/dbraw/zinc/20/30/94/136203094.db2.gz GEMVDCPMNBTWEC-UHFFFAOYSA-N 1 0 383.561 3.296 40 10 GGCBRO C[NH+]1CCN(c2ccc(CNC(=O)COc3cccc4ccccc43)cc2)CC1 ZINC000218917069 136203933 /nfs/dbraw/zinc/20/39/33/136203933.db2.gz JBPBHIYQJUFCEL-UHFFFAOYSA-N 1 0 389.499 3.287 40 10 GGCBRO Cc1cccc(CSCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000222748539 136205036 /nfs/dbraw/zinc/20/50/36/136205036.db2.gz FZILTYAGIDLHDA-UHFFFAOYSA-N 1 0 383.561 3.296 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@H]3C[C@H](C)CC(C)(C)C3)CC2)cc1 ZINC000055501559 222023398 /nfs/dbraw/zinc/02/33/98/222023398.db2.gz UBJHMGJIUMQJAG-DWLFOUALSA-N 1 0 390.568 3.410 40 10 GGCBRO COc1ccc(C[NH2+]C2(Cc3cc(COc4ccccc4)on3)COC2)c(O)c1 ZINC000067898166 222167271 /nfs/dbraw/zinc/16/72/71/222167271.db2.gz OAOZLVSPZOLZJH-UHFFFAOYSA-N 1 0 396.443 3.069 40 10 biogenic,in-vitro GGCBRO CN1CCCC[C@](C)(C2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)C1=O ZINC000072372037 536359373 /nfs/dbraw/zinc/35/93/73/536359373.db2.gz CCAMRHWQCPVBRM-XMMPIXPASA-N 1 0 399.579 3.384 40 10 GGCBRO COc1ccc(N2CC[NH+](C[C@@H](O)CO[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)cc1 ZINC000020347303 536699102 /nfs/dbraw/zinc/69/91/02/536699102.db2.gz UBJHMGJIUMQJAG-UZKOGDIHSA-N 1 0 390.568 3.410 40 10 GGCBRO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](Cc3ccccc3O)C[C@H]21 ZINC000514288628 560034337 /nfs/dbraw/zinc/03/43/37/560034337.db2.gz IYLXIFSGRWOUEW-QAPCUYQASA-N 1 0 392.377 3.128 40 10 biogenic,in-vitro GGCBRO CN(C)c1ccc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H]32)cc1 ZINC000096244871 570224212 /nfs/dbraw/zinc/22/42/12/570224212.db2.gz SJNYEJROFDBSRH-RXVVDRJESA-N 1 0 383.923 3.291 40 10 GGCBRO Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000217012438 570311139 /nfs/dbraw/zinc/31/11/39/570311139.db2.gz BCJYQIKSBNRAKR-UHFFFAOYSA-N 1 0 381.520 3.059 40 10 GGCBRO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217023833 570311409 /nfs/dbraw/zinc/31/14/09/570311409.db2.gz URPHGEZDCKHJTE-SFHVURJKSA-N 1 0 381.520 3.085 40 10 GGCBRO CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000217025813 570312065 /nfs/dbraw/zinc/31/20/65/570312065.db2.gz UTNBKHOQURBTOW-NRFANRHFSA-N 1 0 381.520 3.221 40 10 GGCBRO CN(C)c1ccc(/C=C\c2cc(N(CCO)CCO)c3ccccc3[nH+]2)cc1 ZINC000005390384 570437159 /nfs/dbraw/zinc/43/71/59/570437159.db2.gz XHGZQOSNKUCYTN-YFHOEESVSA-N 1 0 377.488 3.262 40 10 GGCBRO CCOc1ccccc1NC(=S)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000225775924 570616358 /nfs/dbraw/zinc/61/63/58/570616358.db2.gz SAPLTVHUIXWSMR-UHFFFAOYSA-N 1 0 384.549 3.324 40 10 GGCBRO Cc1nccn1CC1(O)CC[NH+](Cc2ccc(N3CCCCC3)cc2F)CC1 ZINC000019287981 570970512 /nfs/dbraw/zinc/97/05/12/570970512.db2.gz FTFYTFIIGRERNA-UHFFFAOYSA-N 1 0 386.515 3.348 40 10 GGCBRO COc1ccc(N2CCC[N@H+](CC3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000019556380 571003418 /nfs/dbraw/zinc/00/34/18/571003418.db2.gz GOHQSMVZUKOTLO-UHFFFAOYSA-N 1 0 397.519 3.353 40 10 GGCBRO CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1ccc(N2CCOCC2)c(F)c1 ZINC000019712314 1399336163 /nfs/dbraw/zinc/33/61/63/1399336163.db2.gz FMMVMIISYNWWBA-FCHUYYIVSA-N 1 0 389.515 3.028 40 10 GGCBRO CCOc1ccccc1[N+]1=C2SCCCN2[C@@](O)(c2ccc(OC)cc2)C1 ZINC000027525070 1400050372 /nfs/dbraw/zinc/05/03/72/1400050372.db2.gz BTZHVMUKZUKXEV-NRFANRHFSA-N 1 0 385.509 3.265 40 10 GGCBRO