smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@@H](C)[NH2+]CC2 ZINC000033778577 570528713 /nfs/dbraw/zinc/52/87/13/570528713.db2.gz YEMKSFIYOHUWLM-ZIAGYGMSSA-N 2 1 398.503 3.957 40 0 GHABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 ZINC000019346710 570978029 /nfs/dbraw/zinc/97/80/29/570978029.db2.gz FVIISZHQVTXGCO-AWEZNQCLSA-N 2 1 390.318 3.686 40 0 GHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)OCCO3)Cc1ccccc1O2 ZINC000019591986 571019208 /nfs/dbraw/zinc/01/92/08/571019208.db2.gz UQLCKLXZPZBSEY-UHFFFAOYSA-N 2 1 394.515 3.753 40 0 GHABMP CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132728 206201654 /nfs/dbraw/zinc/20/16/54/206201654.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 2 1 379.548 3.700 40 0 GHABMP CN1CC2(C1)C[NH+](Cc1ccccc1)C[C@@]21CCC[N@H+](Cc2ccco2)CC1 ZINC000306132728 206201658 /nfs/dbraw/zinc/20/16/58/206201658.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 2 1 379.548 3.700 40 0 GHABMP CN1CC2(C1)C[NH+](Cc1ccccc1)C[C@@]21CCC[N@@H+](Cc2ccco2)CC1 ZINC000306132728 206201662 /nfs/dbraw/zinc/20/16/62/206201662.db2.gz LQMKNZZXURCYNH-QHCPKHFHSA-N 2 1 379.548 3.700 40 0 GHABMP COc1cc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000019588414 571016465 /nfs/dbraw/zinc/01/64/65/571016465.db2.gz YTCGNIOHDOOZEE-UHFFFAOYSA-N 2 1 382.504 3.563 40 0 GHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379226 205340138 /nfs/dbraw/zinc/34/01/38/205340138.db2.gz NAJLGQHFJXGLJQ-SFHVURJKSA-N 2 1 380.467 3.973 40 0 GHABMP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379226 205340141 /nfs/dbraw/zinc/34/01/41/205340141.db2.gz NAJLGQHFJXGLJQ-SFHVURJKSA-N 2 1 380.467 3.973 40 0 GHABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000019292607 570972585 /nfs/dbraw/zinc/97/25/85/570972585.db2.gz DUZXUJKMCUTLEG-CQSZACIVSA-N 2 1 390.318 3.686 40 0 GHABMP C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306129214 206200140 /nfs/dbraw/zinc/20/01/40/206200140.db2.gz HXTHYFANOZAYEM-UHFFFAOYSA-N 2 1 385.562 3.505 40 0 GHABMP C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306129214 206200145 /nfs/dbraw/zinc/20/01/45/206200145.db2.gz HXTHYFANOZAYEM-UHFFFAOYSA-N 2 1 385.562 3.505 40 0 GHABMP CCc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096220890 570220032 /nfs/dbraw/zinc/22/00/32/570220032.db2.gz UPHRYGNHKDMVAZ-QHCPKHFHSA-N 2 1 379.548 3.900 40 0 GHABMP Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000019216572 570961869 /nfs/dbraw/zinc/96/18/69/570961869.db2.gz LTQUXMGWIFTPDE-XMSQKQJNSA-N 2 1 399.510 3.898 40 0 GHABMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096220983 570220065 /nfs/dbraw/zinc/22/00/65/570220065.db2.gz QOTMFDATKSQDMX-NRFANRHFSA-N 2 1 394.515 3.671 40 0 GHABMP CCOc1ccc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1OC ZINC000019533938 570999674 /nfs/dbraw/zinc/99/96/74/570999674.db2.gz CWUGTOBQQWQOQH-UHFFFAOYSA-N 2 1 396.531 3.953 40 0 GHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](CCC(C)(C)C)CC2)C[N@@H+](C)C3)cc1 ZINC000306140904 206204729 /nfs/dbraw/zinc/20/47/29/206204729.db2.gz VGMVYLUMWCZTFL-UHFFFAOYSA-N 2 1 397.567 3.626 40 0 GHABMP COc1ccc(-c2nnc3n2C2(CC[NH+](CCC(C)(C)C)CC2)C[N@H+](C)C3)cc1 ZINC000306140904 206204733 /nfs/dbraw/zinc/20/47/33/206204733.db2.gz VGMVYLUMWCZTFL-UHFFFAOYSA-N 2 1 397.567 3.626 40 0 GHABMP CNc1cc(C[N@H+](C)Cc2ccc(-c3ccccn3)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760056 856427932 /nfs/dbraw/zinc/42/79/32/856427932.db2.gz UTBIWTFHLWZLSE-OAQYLSRUSA-N 2 1 388.519 3.637 40 0 GHABMP CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccccn3)cc2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760056 856427935 /nfs/dbraw/zinc/42/79/35/856427935.db2.gz UTBIWTFHLWZLSE-OAQYLSRUSA-N 2 1 388.519 3.637 40 0 GHABMP Cc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000019287772 570970581 /nfs/dbraw/zinc/97/05/81/570970581.db2.gz XKNYMGMEDWPZFP-SFHVURJKSA-N 2 1 384.524 3.577 40 0 GHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009062732 856409908 /nfs/dbraw/zinc/40/99/08/856409908.db2.gz PGOBKBREPGMVJI-JOCHJYFZSA-N 2 1 389.559 3.809 40 0 GHABMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306126066 206197537 /nfs/dbraw/zinc/19/75/37/206197537.db2.gz DLHBNPKFNSWZHC-UHFFFAOYSA-N 2 1 391.519 3.537 40 0 GHABMP CCc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4ccco4)n23)cc1 ZINC000306126066 206197538 /nfs/dbraw/zinc/19/75/38/206197538.db2.gz DLHBNPKFNSWZHC-UHFFFAOYSA-N 2 1 391.519 3.537 40 0 GHABMP CC[N@H+]1CCC[C@@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000019527161 570997840 /nfs/dbraw/zinc/99/78/40/570997840.db2.gz WBFOYEVIEONDNU-JOCHJYFZSA-N 2 1 375.520 3.754 40 0 GHABMP C[N@@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306142042 206206523 /nfs/dbraw/zinc/20/65/23/206206523.db2.gz WNOHFXBOGOQRKU-UHFFFAOYSA-N 2 1 385.562 3.505 40 0 GHABMP C[N@H+]1Cc2nnc(-c3cccs3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306142042 206206527 /nfs/dbraw/zinc/20/65/27/206206527.db2.gz WNOHFXBOGOQRKU-UHFFFAOYSA-N 2 1 385.562 3.505 40 0 GHABMP Cc1onc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)c1C[NH+]1CCCCCC1 ZINC000019579538 571012541 /nfs/dbraw/zinc/01/25/41/571012541.db2.gz LTQXITAEXKBACB-KRWDZBQOSA-N 2 1 390.572 3.599 40 0 GHABMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008377018 204274672 /nfs/dbraw/zinc/27/46/72/204274672.db2.gz VFKXQFYJBCKLFX-UHFFFAOYSA-N 2 1 381.289 3.866 40 0 GHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009062733 856410062 /nfs/dbraw/zinc/41/00/62/856410062.db2.gz PGOBKBREPGMVJI-QFIPXVFZSA-N 2 1 389.559 3.809 40 0 GHABMP C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306133392 206200790 /nfs/dbraw/zinc/20/07/90/206200790.db2.gz MKBNNRBOZCKMIA-UHFFFAOYSA-N 2 1 397.910 3.628 40 0 GHABMP C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000306133392 206200793 /nfs/dbraw/zinc/20/07/93/206200793.db2.gz MKBNNRBOZCKMIA-UHFFFAOYSA-N 2 1 397.910 3.628 40 0 GHABMP c1ccc2c(C[NH+]3CCC4(CC3)Nc3ccccc3C3=[NH+]CCN34)ccnc2c1 ZINC000019376074 570982470 /nfs/dbraw/zinc/98/24/70/570982470.db2.gz FIFMCTKGYXHLDR-UHFFFAOYSA-N 2 1 383.499 3.715 40 0 GHABMP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000036734282 205020906 /nfs/dbraw/zinc/02/09/06/205020906.db2.gz LTQUXMGWIFTPDE-AVRDEDQJSA-N 2 1 399.510 3.898 40 0 GHABMP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@H](C)[NH2+]CC2 ZINC000245241158 206134004 /nfs/dbraw/zinc/13/40/04/206134004.db2.gz YEMKSFIYOHUWLM-UONOGXRCSA-N 2 1 398.503 3.957 40 0 GHABMP Cc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000039767359 534812223 /nfs/dbraw/zinc/81/22/23/534812223.db2.gz VPRGAMFPDCQKPU-UHFFFAOYSA-N 2 1 391.559 3.551 40 0 GHABMP c1coc(C[N@H+]2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)c1 ZINC000096242486 570222686 /nfs/dbraw/zinc/22/26/86/570222686.db2.gz WOUCIKSATDISDK-UHFFFAOYSA-N 2 1 379.548 3.725 40 0 GHABMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000039759942 570445691 /nfs/dbraw/zinc/44/56/91/570445691.db2.gz ZXUNPLOGHDPGLQ-KDURUIRLSA-N 2 1 389.559 3.522 40 0 GHABMP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000019698262 571030398 /nfs/dbraw/zinc/03/03/98/571030398.db2.gz SCAKULCMVNJWGC-QHCPKHFHSA-N 2 1 396.510 3.535 40 0 GHABMP CCc1[nH+]ccn1Cc1cc(C[N@@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000012147705 204376565 /nfs/dbraw/zinc/37/65/65/204376565.db2.gz UXOMZKMNOWDCEQ-DEOSSOPVSA-N 2 1 391.515 3.596 40 0 GHABMP CCc1[nH+]ccn1Cc1cc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)ccc1OC ZINC000012147705 204376569 /nfs/dbraw/zinc/37/65/69/204376569.db2.gz UXOMZKMNOWDCEQ-DEOSSOPVSA-N 2 1 391.515 3.596 40 0 GHABMP C[C@@H]1CCCC[N@H+]1CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019496351 570989314 /nfs/dbraw/zinc/98/93/14/570989314.db2.gz IGDFTOLEIPXART-JVIIGWRGSA-N 2 1 399.579 3.525 40 0 GHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009062607 856409940 /nfs/dbraw/zinc/40/99/40/856409940.db2.gz BNLQPPYSVCFOFT-HSZRJFAPSA-N 2 1 385.596 3.978 40 0 GHABMP Cc1[nH+]ccn1CCC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@H+]2C ZINC000019712966 856427481 /nfs/dbraw/zinc/42/74/81/856427481.db2.gz ZSFNCPCRCUFLDK-ZLNRFVROSA-N 2 1 394.563 3.668 40 0 GHABMP Cc1[nH+]ccn1CCC(=O)N1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)[N@@H+]2C ZINC000019712966 856427491 /nfs/dbraw/zinc/42/74/91/856427491.db2.gz ZSFNCPCRCUFLDK-ZLNRFVROSA-N 2 1 394.563 3.668 40 0 GHABMP COC[C@@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585102896 570930968 /nfs/dbraw/zinc/93/09/68/570930968.db2.gz HHGOUBYOWMDRDZ-IBGZPJMESA-N 2 1 377.598 3.802 40 0 GHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062553 856409006 /nfs/dbraw/zinc/40/90/06/856409006.db2.gz MNNLJABRHJFQFH-HSZRJFAPSA-N 2 1 385.596 3.978 40 0 GHABMP Cc1ccccc1C[NH+]1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000009062549 856409091 /nfs/dbraw/zinc/40/90/91/856409091.db2.gz LQQVXGPYXWRNTF-BGYRXZFFSA-N 2 1 385.596 3.691 40 0 GHABMP CCc1ncc(C[N@@H+](C)C2CCC3(CC2)C[NH+](C)Cc2ccccc2O3)cn1 ZINC000019523287 207127994 /nfs/dbraw/zinc/12/79/94/207127994.db2.gz DXLAXYWOMJXFQN-UHFFFAOYSA-N 2 1 380.536 3.677 40 0 GHABMP CCc1ncc(C[NH+](C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)cn1 ZINC000019523287 207127998 /nfs/dbraw/zinc/12/79/98/207127998.db2.gz DXLAXYWOMJXFQN-UHFFFAOYSA-N 2 1 380.536 3.677 40 0 GHABMP CCc1ncc(C[NH+](C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)cn1 ZINC000019523287 207128003 /nfs/dbraw/zinc/12/80/03/207128003.db2.gz DXLAXYWOMJXFQN-UHFFFAOYSA-N 2 1 380.536 3.677 40 0 GHABMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019454400 207124024 /nfs/dbraw/zinc/12/40/24/207124024.db2.gz XVWDHLVBOVSJKI-VWPQPMDRSA-N 2 1 398.526 3.672 40 0 GHABMP C[N@H+](Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898106 207187647 /nfs/dbraw/zinc/18/76/47/207187647.db2.gz BLDPRLWSCWMVBA-UHFFFAOYSA-N 2 1 383.536 3.788 40 0 biogenic,in-vitro GHABMP C[N@@H+](Cc1cc(CC2([NH2+]CC3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898106 207187651 /nfs/dbraw/zinc/18/76/51/207187651.db2.gz BLDPRLWSCWMVBA-UHFFFAOYSA-N 2 1 383.536 3.788 40 0 biogenic,in-vitro GHABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306126130 209098058 /nfs/dbraw/zinc/09/80/58/209098058.db2.gz DNTVUUJRYICHBY-UHFFFAOYSA-N 2 1 397.523 3.582 40 0 GHABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3cccs3)CC2)C1 ZINC000306126130 209098061 /nfs/dbraw/zinc/09/80/61/209098061.db2.gz DNTVUUJRYICHBY-UHFFFAOYSA-N 2 1 397.523 3.582 40 0 GHABMP CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C)CC3)C2(C)C)no1)c1ccccc1 ZINC000067890144 560050140 /nfs/dbraw/zinc/05/01/40/560050140.db2.gz DXAYVZHBFRXOMX-JPYJTQIMSA-N 2 1 396.579 3.952 40 0 biogenic,in-vitro GHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009062580 856409986 /nfs/dbraw/zinc/40/99/86/856409986.db2.gz RHEAIAHUEYIUTP-HSZRJFAPSA-N 2 1 385.596 3.978 40 0 GHABMP C[N@H+]1CCc2nc(C3CC[NH+](Cc4ccc5c(c4)CC(C)(C)O5)CC3)ncc2C1 ZINC000019461736 207123691 /nfs/dbraw/zinc/12/36/91/207123691.db2.gz TVDZLDLTZBXWKC-UHFFFAOYSA-N 2 1 392.547 3.558 40 0 GHABMP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706395 207150061 /nfs/dbraw/zinc/15/00/61/207150061.db2.gz XAMGKNRAHIWBLD-NRFANRHFSA-N 2 1 391.494 3.567 40 0 GHABMP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706395 207150064 /nfs/dbraw/zinc/15/00/64/207150064.db2.gz XAMGKNRAHIWBLD-NRFANRHFSA-N 2 1 391.494 3.567 40 0 GHABMP CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(C)o1)CC3 ZINC000097952838 208362835 /nfs/dbraw/zinc/36/28/35/208362835.db2.gz ACQYSMLCSCBKFT-XUZZJYLKSA-N 2 1 399.579 3.525 40 0 GHABMP CC[N@H+]1CCC[C@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1cccnc1 ZINC000019527192 207128289 /nfs/dbraw/zinc/12/82/89/207128289.db2.gz JOXSFIYXKLPXOU-QFIPXVFZSA-N 2 1 375.520 3.754 40 0 GHABMP CC[NH+](CC)CC(C)(C)C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712603 856426020 /nfs/dbraw/zinc/42/60/20/856426020.db2.gz WPRMKAWUYLMKIB-XJUOHMSHSA-N 2 1 385.596 3.881 40 0 GHABMP CCc1ncc(C[N@@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019523459 207128996 /nfs/dbraw/zinc/12/89/96/207128996.db2.gz INMPIZVIPZZUOC-UHFFFAOYSA-N 2 1 380.536 3.677 40 0 GHABMP CCc1ncc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1 ZINC000019523459 207128997 /nfs/dbraw/zinc/12/89/97/207128997.db2.gz INMPIZVIPZZUOC-UHFFFAOYSA-N 2 1 380.536 3.677 40 0 GHABMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051797 208256978 /nfs/dbraw/zinc/25/69/78/208256978.db2.gz OUFGANBEMXYQAG-FQEVSTJZSA-N 2 1 385.577 3.955 40 0 GHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000009062554 856409029 /nfs/dbraw/zinc/40/90/29/856409029.db2.gz MNNLJABRHJFQFH-QHCPKHFHSA-N 2 1 385.596 3.978 40 0 GHABMP CC[NH+](CC)CC(C)(C)C[NH2+][C@H](C)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1 ZINC000100217944 208373971 /nfs/dbraw/zinc/37/39/71/208373971.db2.gz FBVVUPWHNBHARJ-OAHLLOKOSA-N 2 1 375.561 3.751 40 0 GHABMP Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000036734284 570568088 /nfs/dbraw/zinc/56/80/88/570568088.db2.gz LTQUXMGWIFTPDE-GCJKJVERSA-N 2 1 399.510 3.898 40 0 GHABMP COc1ccc(C[N@@H+]2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306133563 209101863 /nfs/dbraw/zinc/10/18/63/209101863.db2.gz MPOIWBCAWMWEIN-UHFFFAOYSA-N 2 1 394.563 3.589 40 0 GHABMP COc1ccc(C[N@H+]2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306133563 209101864 /nfs/dbraw/zinc/10/18/64/209101864.db2.gz MPOIWBCAWMWEIN-UHFFFAOYSA-N 2 1 394.563 3.589 40 0 GHABMP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CC[N@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333730 209078767 /nfs/dbraw/zinc/07/87/67/209078767.db2.gz YCVCOCHUVXVDDL-SFHVURJKSA-N 2 1 377.492 3.865 40 0 GHABMP COc1cccc(Nc2cc(C)[nH+]c([C@H]3CC[N@@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333730 209078772 /nfs/dbraw/zinc/07/87/72/209078772.db2.gz YCVCOCHUVXVDDL-SFHVURJKSA-N 2 1 377.492 3.865 40 0 GHABMP COc1ccccc1C1(O)CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057822880 570704244 /nfs/dbraw/zinc/70/42/44/570704244.db2.gz LSAAGHXIDIFWNM-JOCHJYFZSA-N 2 1 394.559 3.891 40 0 GHABMP C[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000006734501 570750520 /nfs/dbraw/zinc/75/05/20/570750520.db2.gz PEYRVLMAZCMCQX-UHFFFAOYSA-N 2 1 391.559 3.529 40 0 GHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](C)Cc2nnc(-c4cccs4)n23)s1 ZINC000306141963 209105732 /nfs/dbraw/zinc/10/57/32/209105732.db2.gz WLINTYYZJGBSFN-UHFFFAOYSA-N 2 1 399.589 3.813 40 0 GHABMP Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](C)Cc2nnc(-c4cccs4)n23)s1 ZINC000306141963 209105734 /nfs/dbraw/zinc/10/57/34/209105734.db2.gz WLINTYYZJGBSFN-UHFFFAOYSA-N 2 1 399.589 3.813 40 0 GHABMP Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cnc(N3CCCCC3)nc2)o1 ZINC000043277758 570626517 /nfs/dbraw/zinc/62/65/17/570626517.db2.gz HIVKWKUJURZWDN-UHFFFAOYSA-N 2 1 394.523 3.657 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019523641 207128941 /nfs/dbraw/zinc/12/89/41/207128941.db2.gz DPMPORDLPRUCRT-PQNGQFLHSA-N 2 1 394.563 3.705 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019523641 207128946 /nfs/dbraw/zinc/12/89/46/207128946.db2.gz DPMPORDLPRUCRT-PQNGQFLHSA-N 2 1 394.563 3.705 40 0 GHABMP CCN(CC)C(=O)CN1CCC[C@H](c2ccc(Nc3cccc(C)n3)cn2)C1 ZINC000072353262 570881482 /nfs/dbraw/zinc/88/14/82/570881482.db2.gz VBPUHLNUKFNTRN-SFHVURJKSA-N 2 1 381.524 3.576 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019523638 207128714 /nfs/dbraw/zinc/12/87/14/207128714.db2.gz ZBCFHNKYTKIGAF-PQNGQFLHSA-N 2 1 394.563 3.705 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019523638 207128718 /nfs/dbraw/zinc/12/87/18/207128718.db2.gz ZBCFHNKYTKIGAF-PQNGQFLHSA-N 2 1 394.563 3.705 40 0 GHABMP COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)[NH+](C)CC4)c1O)[C@H](C)[N@@H+](C)CC2 ZINC000003847257 570351878 /nfs/dbraw/zinc/35/18/78/570351878.db2.gz VXOBJLYKDCJCGV-KBPBESRZSA-N 2 1 382.504 3.871 40 0 GHABMP COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)[N@H+](C)CC4)c1O)[C@H](C)[NH+](C)CC2 ZINC000003847257 570351881 /nfs/dbraw/zinc/35/18/81/570351881.db2.gz VXOBJLYKDCJCGV-KBPBESRZSA-N 2 1 382.504 3.871 40 0 GHABMP COc1cc2c(c(-c3cc(O)cc4c3[C@H](C)[N@@H+](C)CC4)c1O)[C@H](C)[NH+](C)CC2 ZINC000003847257 570351883 /nfs/dbraw/zinc/35/18/83/570351883.db2.gz VXOBJLYKDCJCGV-KBPBESRZSA-N 2 1 382.504 3.871 40 0 GHABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000038831790 570584619 /nfs/dbraw/zinc/58/46/19/570584619.db2.gz BGJCLWUPGVXNDK-UHFFFAOYSA-N 2 1 388.515 3.766 40 0 GHABMP COc1ccc(C[NH+]2CCC(n3nc(C)cc3C)CC2)cc1Cn1cc[nH+]c1C ZINC000019656816 210278441 /nfs/dbraw/zinc/27/84/41/210278441.db2.gz NZDRXBMQIMVURP-UHFFFAOYSA-N 2 1 393.535 3.899 40 0 GHABMP CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039757624 570449083 /nfs/dbraw/zinc/44/90/83/570449083.db2.gz QPIFAZYMFDKZEX-OAQYLSRUSA-N 2 1 389.559 3.809 40 0 GHABMP COc1ccccc1C1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000012116990 570611341 /nfs/dbraw/zinc/61/13/41/570611341.db2.gz BHYQBIJHPKTEHU-UHFFFAOYSA-N 2 1 377.488 3.673 40 0 GHABMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019288108 210237725 /nfs/dbraw/zinc/23/77/25/210237725.db2.gz WPOFDQKEKQZMCO-ZDXQCDESSA-N 2 1 394.563 3.841 40 0 GHABMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019288108 210237727 /nfs/dbraw/zinc/23/77/27/210237727.db2.gz WPOFDQKEKQZMCO-ZDXQCDESSA-N 2 1 394.563 3.841 40 0 GHABMP CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4cccnc4)CO3)CC2)cc1 ZINC000096220892 211320526 /nfs/dbraw/zinc/32/05/26/211320526.db2.gz UPHRYGNHKDMVAZ-HSZRJFAPSA-N 2 1 379.548 3.900 40 0 GHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1c(C)nc3ccccn31)Cc1ccccc1O2 ZINC000019555026 210260800 /nfs/dbraw/zinc/26/08/00/210260800.db2.gz RWJKRFVBRMPLRQ-UHFFFAOYSA-N 2 1 390.531 3.938 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019523645 210256317 /nfs/dbraw/zinc/25/63/17/210256317.db2.gz HVLAYBRMWLFVNI-IMSXRSKXSA-N 2 1 394.563 3.705 40 0 GHABMP CCc1[nH+]ccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019523645 210256321 /nfs/dbraw/zinc/25/63/21/210256321.db2.gz HVLAYBRMWLFVNI-IMSXRSKXSA-N 2 1 394.563 3.705 40 0 GHABMP Cc1ccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)o1 ZINC000019216570 210231589 /nfs/dbraw/zinc/23/15/89/210231589.db2.gz LTQUXMGWIFTPDE-PGRDOPGGSA-N 2 1 399.510 3.898 40 0 GHABMP CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@]21CCC[NH+](Cc2ccco2)CC1 ZINC000306132727 212049119 /nfs/dbraw/zinc/04/91/19/212049119.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 2 1 379.548 3.700 40 0 GHABMP CN1CC2(C1)C[NH+](Cc1ccccc1)C[C@]21CCC[N@H+](Cc2ccco2)CC1 ZINC000306132727 212049123 /nfs/dbraw/zinc/04/91/23/212049123.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 2 1 379.548 3.700 40 0 GHABMP CN1CC2(C1)C[NH+](Cc1ccccc1)C[C@]21CCC[N@@H+](Cc2ccco2)CC1 ZINC000306132727 212049128 /nfs/dbraw/zinc/04/91/28/212049128.db2.gz LQMKNZZXURCYNH-HSZRJFAPSA-N 2 1 379.548 3.700 40 0 GHABMP C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306126951 212045726 /nfs/dbraw/zinc/04/57/26/212045726.db2.gz FJUWJGBHQXCHQL-UHFFFAOYSA-N 2 1 397.523 3.582 40 0 GHABMP C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CC[NH+](Cc3ccsc3)CC2)C1 ZINC000306126951 212045729 /nfs/dbraw/zinc/04/57/29/212045729.db2.gz FJUWJGBHQXCHQL-UHFFFAOYSA-N 2 1 397.523 3.582 40 0 GHABMP CC[NH+](CC)Cc1nc(C2(O)CC[NH+](C3CCC(F)(F)CC3)CC2)cs1 ZINC000225463506 560043424 /nfs/dbraw/zinc/04/34/24/560043424.db2.gz JKAIJXMACUSDIJ-UHFFFAOYSA-N 2 1 387.540 3.846 40 0 biogenic,in-vitro GHABMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019288101 210238289 /nfs/dbraw/zinc/23/82/89/210238289.db2.gz PXZLJMRWRMKTHK-CQOQZXRMSA-N 2 1 394.563 3.841 40 0 GHABMP Cc1[nH+]ccn1CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C ZINC000019288101 210238292 /nfs/dbraw/zinc/23/82/92/210238292.db2.gz PXZLJMRWRMKTHK-CQOQZXRMSA-N 2 1 394.563 3.841 40 0 GHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009062608 856410226 /nfs/dbraw/zinc/41/02/26/856410226.db2.gz BNLQPPYSVCFOFT-QHCPKHFHSA-N 2 1 385.596 3.978 40 0 GHABMP Cc1ccc(C[N@@H+]2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)s1 ZINC000306138890 212053281 /nfs/dbraw/zinc/05/32/81/212053281.db2.gz SKGPMRBUZHHPDA-UHFFFAOYSA-N 2 1 384.593 3.951 40 0 GHABMP Cc1ccc(C[N@H+]2Cc3c(nc(C)n3CC3CC3)C3(CC[NH+](C)CC3)C2)s1 ZINC000306138890 212053285 /nfs/dbraw/zinc/05/32/85/212053285.db2.gz SKGPMRBUZHHPDA-UHFFFAOYSA-N 2 1 384.593 3.951 40 0 GHABMP COCC[NH+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@@H+]2Cc1ccccc1 ZINC000257270021 212014214 /nfs/dbraw/zinc/01/42/14/212014214.db2.gz MSMINCPCAWHAIW-WXFUMESZSA-N 2 1 380.532 3.632 40 0 GHABMP COCC[NH+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[N@H+]2Cc1ccccc1 ZINC000257270021 212014217 /nfs/dbraw/zinc/01/42/17/212014217.db2.gz MSMINCPCAWHAIW-WXFUMESZSA-N 2 1 380.532 3.632 40 0 GHABMP COCC[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[NH+]2Cc1ccccc1 ZINC000257270021 212014209 /nfs/dbraw/zinc/01/42/09/212014209.db2.gz MSMINCPCAWHAIW-WXFUMESZSA-N 2 1 380.532 3.632 40 0 GHABMP COCC[N@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(OC)cc1)C[NH+]2Cc1ccccc1 ZINC000257270021 212014211 /nfs/dbraw/zinc/01/42/11/212014211.db2.gz MSMINCPCAWHAIW-WXFUMESZSA-N 2 1 380.532 3.632 40 0 GHABMP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000020048535 210314308 /nfs/dbraw/zinc/31/43/08/210314308.db2.gz CGLLZIKQJNYVCM-NRFANRHFSA-N 2 1 391.559 3.877 40 0 GHABMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000020048535 210314315 /nfs/dbraw/zinc/31/43/15/210314315.db2.gz CGLLZIKQJNYVCM-NRFANRHFSA-N 2 1 391.559 3.877 40 0 GHABMP Cc1cccc(C[NH+]2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000039754582 570447450 /nfs/dbraw/zinc/44/74/50/570447450.db2.gz PHHBRCQYBSRHBY-OYRHEFFESA-N 2 1 385.596 3.691 40 0 GHABMP C[NH2+]C1CCC2(CC1)C[N@H+](Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 ZINC000019454130 210250731 /nfs/dbraw/zinc/25/07/31/210250731.db2.gz JSFLDBYCBUMNBP-UHFFFAOYSA-N 2 1 380.536 3.895 40 0 GHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cnc(C(C)C)nc1)Cc1ccccc1O2 ZINC000019454130 210250734 /nfs/dbraw/zinc/25/07/34/210250734.db2.gz JSFLDBYCBUMNBP-UHFFFAOYSA-N 2 1 380.536 3.895 40 0 GHABMP CCOC(=O)[C@@]12C[N@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055930 211298183 /nfs/dbraw/zinc/29/81/83/211298183.db2.gz MMKOZIKQYZLKGY-RXVVDRJESA-N 2 1 378.582 3.790 40 0 GHABMP CCOC(=O)[C@@]12C[N@@H+](CC(C)C)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2 ZINC000096055930 211298186 /nfs/dbraw/zinc/29/81/86/211298186.db2.gz MMKOZIKQYZLKGY-RXVVDRJESA-N 2 1 378.582 3.790 40 0 GHABMP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096055930 211298190 /nfs/dbraw/zinc/29/81/90/211298190.db2.gz MMKOZIKQYZLKGY-RXVVDRJESA-N 2 1 378.582 3.790 40 0 GHABMP CCOC(=O)[C@@]12C[NH+](CC(C)C)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096055930 211298193 /nfs/dbraw/zinc/29/81/93/211298193.db2.gz MMKOZIKQYZLKGY-RXVVDRJESA-N 2 1 378.582 3.790 40 0 GHABMP CNc1cc(C[N@H+](C)Cc2ccc(-c3ccccn3)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760053 856428264 /nfs/dbraw/zinc/42/82/64/856428264.db2.gz UTBIWTFHLWZLSE-NRFANRHFSA-N 2 1 388.519 3.637 40 0 GHABMP CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccccn3)cc2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760053 856428276 /nfs/dbraw/zinc/42/82/76/856428276.db2.gz UTBIWTFHLWZLSE-NRFANRHFSA-N 2 1 388.519 3.637 40 0 GHABMP CC[N@H+]1CCC[C@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1ccccn1 ZINC000019527162 210256880 /nfs/dbraw/zinc/25/68/80/210256880.db2.gz WBFOYEVIEONDNU-QFIPXVFZSA-N 2 1 375.520 3.754 40 0 GHABMP C[NH+]1CCC([NH2+][C@H]2C[C@@H](Cc3cc(COc4ccccc4)on3)C2(C)C)CC1 ZINC000067889987 560050145 /nfs/dbraw/zinc/05/01/45/560050145.db2.gz QYTZYOQFYILGIJ-VGSWGCGISA-N 2 1 383.536 3.895 40 0 biogenic,in-vitro GHABMP CCCC[NH2+]C[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000004429918 570375042 /nfs/dbraw/zinc/37/50/42/570375042.db2.gz IJYOEYVFODZMCS-SKVIEZSMSA-N 2 1 381.564 3.864 40 0 GHABMP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C)c1O)[C@H](C)[NH2+]CC2 ZINC000245241157 570699059 /nfs/dbraw/zinc/69/90/59/570699059.db2.gz YEMKSFIYOHUWLM-KBPBESRZSA-N 2 1 398.503 3.957 40 0 GHABMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000189129067 570923798 /nfs/dbraw/zinc/92/37/98/570923798.db2.gz SJTCTTFQKUIIJK-UHFFFAOYSA-N 2 1 395.950 3.683 40 0 GHABMP CC(C)Oc1cccc(C[NH+]2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019450846 210249114 /nfs/dbraw/zinc/24/91/14/210249114.db2.gz WKFMADNTLUMHQE-UHFFFAOYSA-N 2 1 380.536 3.631 40 0 GHABMP COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C[NH+](C)C)cc2)cc1 ZINC000012344896 570645175 /nfs/dbraw/zinc/64/51/75/570645175.db2.gz WOLVAHREUCUDPY-RIKCKFAHSA-N 2 1 380.532 3.771 40 0 GHABMP C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCC[NH+]1CCCC1 ZINC000019589126 210271957 /nfs/dbraw/zinc/27/19/57/210271957.db2.gz JXWJSOGYKBKVLZ-CQOQZXRMSA-N 2 1 383.580 3.731 40 0 GHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039757625 570449148 /nfs/dbraw/zinc/44/91/48/570449148.db2.gz QPIFAZYMFDKZEX-NRFANRHFSA-N 2 1 389.559 3.809 40 0 GHABMP CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009062581 856410219 /nfs/dbraw/zinc/41/02/19/856410219.db2.gz RHEAIAHUEYIUTP-QHCPKHFHSA-N 2 1 385.596 3.978 40 0 GHABMP COc1cccc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)c1 ZINC000306136653 212051214 /nfs/dbraw/zinc/05/12/14/212051214.db2.gz PZHZZNDHYHOCLZ-UHFFFAOYSA-N 2 1 382.552 3.760 40 0 GHABMP COc1cccc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)c1 ZINC000306136653 212051216 /nfs/dbraw/zinc/05/12/16/212051216.db2.gz PZHZZNDHYHOCLZ-UHFFFAOYSA-N 2 1 382.552 3.760 40 0 GHABMP C[NH+](C)CCn1cc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)c2ccccc21 ZINC000019583308 210270032 /nfs/dbraw/zinc/27/00/32/210270032.db2.gz VKVVVMAVBUNDAT-QFIPXVFZSA-N 2 1 392.547 3.779 40 0 GHABMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019288107 210237542 /nfs/dbraw/zinc/23/75/42/210237542.db2.gz HVWAWUJXYGFXPB-CQOQZXRMSA-N 2 1 394.563 3.841 40 0 GHABMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C ZINC000019288107 210237545 /nfs/dbraw/zinc/23/75/45/210237545.db2.gz HVWAWUJXYGFXPB-CQOQZXRMSA-N 2 1 394.563 3.841 40 0 GHABMP Cc1ccc(C[N@@H+]2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1C ZINC000019213934 210230335 /nfs/dbraw/zinc/23/03/35/210230335.db2.gz WTMKQNWXZNEUSL-FQEVSTJZSA-N 2 1 377.536 3.599 40 0 GHABMP Cc1noc(C)c1C[NH+]1CCC2(CC1)C[N@H+](C1CCOCC1)Cc1ccccc12 ZINC000096242608 211322965 /nfs/dbraw/zinc/32/29/65/211322965.db2.gz HJGYLJVCQADLDY-UHFFFAOYSA-N 2 1 395.547 3.820 40 0 GHABMP COc1ccc(OCC[N@@H+](C)Cc2c3cccnc3[nH]c2[C@H]2CCC[NH2+]C2)cc1 ZINC000019586158 210272615 /nfs/dbraw/zinc/27/26/15/210272615.db2.gz GIUXJDBIZFHGPF-KRWDZBQOSA-N 2 1 394.519 3.549 40 0 GHABMP O=C(NCCC[NH+]1CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022913679 570334301 /nfs/dbraw/zinc/33/43/01/570334301.db2.gz ZHXIATCIFQPJBX-UHFFFAOYSA-N 2 1 391.559 3.851 40 0 GHABMP CCCC[NH2+]C[C@@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000004429917 570374937 /nfs/dbraw/zinc/37/49/37/570374937.db2.gz IJYOEYVFODZMCS-HLZYPZQWSA-N 2 1 381.564 3.864 40 0 GHABMP Cc1ccc(C[N@@H+]2CC[C@@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)cc1C ZINC000019213932 210230353 /nfs/dbraw/zinc/23/03/53/210230353.db2.gz WTMKQNWXZNEUSL-HXUWFJFHSA-N 2 1 377.536 3.599 40 0 GHABMP Fc1ccc(-c2cccc(C[N@@H+]3CCc4nnc([C@@H]5CCC[NH2+]5)n4CC3)c2)cc1 ZINC000019706416 210283701 /nfs/dbraw/zinc/28/37/01/210283701.db2.gz FFHFTXNRFPPSMP-NRFANRHFSA-N 2 1 391.494 3.567 40 0 GHABMP CCCC[NH2+]C[C@@H]1[C@H](O)CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]21 ZINC000004429915 570375026 /nfs/dbraw/zinc/37/50/26/570375026.db2.gz IJYOEYVFODZMCS-HFCLOAOQSA-N 2 1 381.564 3.864 40 0 GHABMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000039758945 570449582 /nfs/dbraw/zinc/44/95/82/570449582.db2.gz TXOLEWNETAYYBC-KDURUIRLSA-N 2 1 389.559 3.522 40 0 GHABMP COc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C ZINC000019577378 210268188 /nfs/dbraw/zinc/26/81/88/210268188.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C ZINC000019577378 210268192 /nfs/dbraw/zinc/26/81/92/210268192.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019577378 210268193 /nfs/dbraw/zinc/26/81/93/210268193.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019577378 210268197 /nfs/dbraw/zinc/26/81/97/210268197.db2.gz VAKKKQCOXVTBPN-OAQYLSRUSA-N 2 1 380.536 3.817 40 0 GHABMP Fc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706394 210283909 /nfs/dbraw/zinc/28/39/09/210283909.db2.gz XAMGKNRAHIWBLD-OAQYLSRUSA-N 2 1 391.494 3.567 40 0 GHABMP Fc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H]1c1nnc2n1CC[NH2+]CC2 ZINC000019706394 210283912 /nfs/dbraw/zinc/28/39/12/210283912.db2.gz XAMGKNRAHIWBLD-OAQYLSRUSA-N 2 1 391.494 3.567 40 0 GHABMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000012143639 221158743 /nfs/dbraw/zinc/15/87/43/221158743.db2.gz SSISOKUXROQOMV-IRLDBZIGSA-N 2 1 396.441 3.568 40 0 GHABMP CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2CC(C)(C)C[NH+](C)C ZINC000019017591 221393931 /nfs/dbraw/zinc/39/39/31/221393931.db2.gz GSZPBBMFDRTOPB-DNVJHFABSA-N 2 1 385.596 3.833 40 0 GHABMP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000020048532 570237724 /nfs/dbraw/zinc/23/77/24/570237724.db2.gz CGLLZIKQJNYVCM-OAQYLSRUSA-N 2 1 391.559 3.877 40 0 GHABMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C1 ZINC000020048532 570237726 /nfs/dbraw/zinc/23/77/26/570237726.db2.gz CGLLZIKQJNYVCM-OAQYLSRUSA-N 2 1 391.559 3.877 40 0 GHABMP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C)c1O)[C@@H](C)[NH2+]CC2 ZINC000033778578 570528605 /nfs/dbraw/zinc/52/86/05/570528605.db2.gz YEMKSFIYOHUWLM-KGLIPLIRSA-N 2 1 398.503 3.957 40 0 GHABMP COc1ccc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306141144 570945100 /nfs/dbraw/zinc/94/51/00/570945100.db2.gz VMJFFSCTFHAJRL-UHFFFAOYSA-N 2 1 382.552 3.760 40 0 GHABMP COc1ccc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](C)CC3)C2)cc1 ZINC000306141144 570945102 /nfs/dbraw/zinc/94/51/02/570945102.db2.gz VMJFFSCTFHAJRL-UHFFFAOYSA-N 2 1 382.552 3.760 40 0 GHABMP CC[N@H+]1CCC[C@@H]1CN(Cc1cccn1-c1cc[nH+]cc1)Cc1cccnc1 ZINC000019527191 570997869 /nfs/dbraw/zinc/99/78/69/570997869.db2.gz JOXSFIYXKLPXOU-JOCHJYFZSA-N 2 1 375.520 3.754 40 0 GHABMP CCOc1cc(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)ccc1OC ZINC000019532135 570999225 /nfs/dbraw/zinc/99/92/25/570999225.db2.gz OSDWCRNUAOCGGM-UHFFFAOYSA-N 2 1 396.531 3.953 40 0 GHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379225 222244659 /nfs/dbraw/zinc/24/46/59/222244659.db2.gz NAJLGQHFJXGLJQ-GOSISDBHSA-N 2 1 380.467 3.973 40 0 GHABMP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379225 222244661 /nfs/dbraw/zinc/24/46/61/222244661.db2.gz NAJLGQHFJXGLJQ-GOSISDBHSA-N 2 1 380.467 3.973 40 0 GHABMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755377 570448008 /nfs/dbraw/zinc/44/80/08/570448008.db2.gz POHVVYRKSZIUAX-UHFFFAOYSA-N 2 1 395.950 3.683 40 0 GHABMP Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710755 571034640 /nfs/dbraw/zinc/03/46/40/571034640.db2.gz UHUVCMXRFZSHON-NRFANRHFSA-N 2 1 391.494 3.567 40 0 GHABMP Fc1cccc(-c2ccc(C[N@H+]3CCC[C@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710755 571034643 /nfs/dbraw/zinc/03/46/43/571034643.db2.gz UHUVCMXRFZSHON-NRFANRHFSA-N 2 1 391.494 3.567 40 0 GHABMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@H+]3C)CC1 ZINC000019447781 570984448 /nfs/dbraw/zinc/98/44/48/570984448.db2.gz DGQIAKPCOLHXGS-WXFUMESZSA-N 2 1 397.607 3.976 40 0 GHABMP COc1ccccc1C1(O)CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000057822876 570704366 /nfs/dbraw/zinc/70/43/66/570704366.db2.gz LSAAGHXIDIFWNM-QFIPXVFZSA-N 2 1 394.559 3.891 40 0 GHABMP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333729 570783462 /nfs/dbraw/zinc/78/34/62/570783462.db2.gz YCVCOCHUVXVDDL-GOSISDBHSA-N 2 1 377.492 3.865 40 0 GHABMP COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@@H+](Cc4cnn(C)c4)C3)c2)c1 ZINC000257333729 570783464 /nfs/dbraw/zinc/78/34/64/570783464.db2.gz YCVCOCHUVXVDDL-GOSISDBHSA-N 2 1 377.492 3.865 40 0 GHABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000019287773 570970630 /nfs/dbraw/zinc/97/06/30/570970630.db2.gz XKNYMGMEDWPZFP-GOSISDBHSA-N 2 1 384.524 3.577 40 0 GHABMP COc1ccc(OCC[N@@H+](C)Cc2c3cccnc3[nH]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC000019586156 571015631 /nfs/dbraw/zinc/01/56/31/571015631.db2.gz GIUXJDBIZFHGPF-QGZVFWFLSA-N 2 1 394.519 3.549 40 0 GHABMP [NH3+]CCn1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 ZINC000019346708 570978147 /nfs/dbraw/zinc/97/81/47/570978147.db2.gz FVIISZHQVTXGCO-CQSZACIVSA-N 2 1 390.318 3.686 40 0 GHABMP C[C@H]1CCCC[N@H+]1CC(=O)N1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019496352 570989283 /nfs/dbraw/zinc/98/92/83/570989283.db2.gz IGDFTOLEIPXART-RNQSCQIESA-N 2 1 399.579 3.525 40 0 GHABMP Fc1cccc(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710754 571034466 /nfs/dbraw/zinc/03/44/66/571034466.db2.gz UHUVCMXRFZSHON-OAQYLSRUSA-N 2 1 391.494 3.567 40 0 GHABMP Fc1cccc(-c2ccc(C[N@H+]3CCC[C@@H]3c3nnc4n3CC[NH2+]CC4)cc2)c1 ZINC000019710754 571034469 /nfs/dbraw/zinc/03/44/69/571034469.db2.gz UHUVCMXRFZSHON-OAQYLSRUSA-N 2 1 391.494 3.567 40 0 GHABMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096220981 222398647 /nfs/dbraw/zinc/39/86/47/222398647.db2.gz QOTMFDATKSQDMX-OAQYLSRUSA-N 2 1 394.515 3.671 40 0 GHABMP COc1ccc(OC)c(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588416 571016716 /nfs/dbraw/zinc/01/67/16/571016716.db2.gz RSOKPZBCSIKEOJ-UHFFFAOYSA-N 2 1 382.504 3.563 40 0 GHABMP COc1ccc(OC)c(C[N@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)c1 ZINC000019588416 571016720 /nfs/dbraw/zinc/01/67/20/571016720.db2.gz RSOKPZBCSIKEOJ-UHFFFAOYSA-N 2 1 382.504 3.563 40 0 GHABMP CC1CC[NH+](Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000020485625 570262135 /nfs/dbraw/zinc/26/21/35/570262135.db2.gz JLCVDBDGCJKGHI-UHFFFAOYSA-N 2 1 391.559 3.877 40 0 GHABMP COc1ccc(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C ZINC000019577380 571012123 /nfs/dbraw/zinc/01/21/23/571012123.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C ZINC000019577380 571012129 /nfs/dbraw/zinc/01/21/29/571012129.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C ZINC000019577380 571012132 /nfs/dbraw/zinc/01/21/32/571012132.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 2 1 380.536 3.817 40 0 GHABMP COc1ccc(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019577380 571012137 /nfs/dbraw/zinc/01/21/37/571012137.db2.gz VAKKKQCOXVTBPN-NRFANRHFSA-N 2 1 380.536 3.817 40 0 GHABMP Cc1onc(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)c1C[NH+]1CCCCCC1 ZINC000019579534 571012730 /nfs/dbraw/zinc/01/27/30/571012730.db2.gz LTQXITAEXKBACB-QGZVFWFLSA-N 2 1 390.572 3.599 40 0 GHABMP Fc1ccc(-c2cccc(C[N@@H+]3CCc4nnc([C@H]5CCC[NH2+]5)n4CC3)c2)cc1 ZINC000019706418 571032264 /nfs/dbraw/zinc/03/22/64/571032264.db2.gz FFHFTXNRFPPSMP-OAQYLSRUSA-N 2 1 391.494 3.567 40 0 GHABMP COC[C@H]1C[N@@H+](Cc2csc(C)n2)CC12CC[NH+](CC1CCCC1)CC2 ZINC000585102897 570931146 /nfs/dbraw/zinc/93/11/46/570931146.db2.gz HHGOUBYOWMDRDZ-LJQANCHMSA-N 2 1 377.598 3.802 40 0 GHABMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@H+]3C)CC1 ZINC000019447787 570984207 /nfs/dbraw/zinc/98/42/07/570984207.db2.gz KZWZBXZKLKBWDL-VXNXHJTFSA-N 2 1 397.607 3.976 40 0 GHABMP C[NH+](C)CCn1cc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)c2ccccc21 ZINC000019583312 571014142 /nfs/dbraw/zinc/01/41/42/571014142.db2.gz VKVVVMAVBUNDAT-JOCHJYFZSA-N 2 1 392.547 3.779 40 0 GHABMP [NH3+]CCn1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000019292608 570972782 /nfs/dbraw/zinc/97/27/82/570972782.db2.gz DUZXUJKMCUTLEG-AWEZNQCLSA-N 2 1 390.318 3.686 40 0 GHABMP CN(C)c1ncccc1C[N@H+]1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1 ZINC000019584151 571014623 /nfs/dbraw/zinc/01/46/23/571014623.db2.gz AZQXZEGLPGUXBT-UHFFFAOYSA-N 2 1 394.563 3.785 40 0 GHABMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096051796 222375482 /nfs/dbraw/zinc/37/54/82/222375482.db2.gz OUFGANBEMXYQAG-HXUWFJFHSA-N 2 1 385.577 3.955 40 0 GHABMP CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc(C)[nH+]1 ZINC000019698261 571030466 /nfs/dbraw/zinc/03/04/66/571030466.db2.gz SCAKULCMVNJWGC-HSZRJFAPSA-N 2 1 396.510 3.535 40 0 GHABMP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](CCOc3ccc(F)cc3)CC2)n1 ZINC000072376602 222245922 /nfs/dbraw/zinc/24/59/22/222245922.db2.gz XXLVEMDXIJFKTQ-UHFFFAOYSA-N 2 1 380.467 3.973 40 0 GHABMP Cc1ccc(C[NH+]2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000039757657 570449191 /nfs/dbraw/zinc/44/91/91/570449191.db2.gz UHKAJOMQFOZNDA-OYRHEFFESA-N 2 1 385.596 3.691 40 0 GHABMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019454475 570986811 /nfs/dbraw/zinc/98/68/11/570986811.db2.gz BUDMVOVVYDKVTJ-MQSCRBSSSA-N 2 1 394.563 3.923 40 0 GHABMP COc1ccc(C[N@@H+](C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)cc1OC ZINC000019586414 571015684 /nfs/dbraw/zinc/01/56/84/571015684.db2.gz LQCCCZSLXTVKGP-UHFFFAOYSA-N 2 1 396.531 3.999 40 0 GHABMP CCc1[nH+]ccn1Cc1cc(C[N@@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OC ZINC000012147706 221159927 /nfs/dbraw/zinc/15/99/27/221159927.db2.gz UXOMZKMNOWDCEQ-XMMPIXPASA-N 2 1 391.515 3.596 40 0 GHABMP CCc1[nH+]ccn1Cc1cc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)ccc1OC ZINC000012147706 221159931 /nfs/dbraw/zinc/15/99/31/221159931.db2.gz UXOMZKMNOWDCEQ-XMMPIXPASA-N 2 1 391.515 3.596 40 0 GHABMP c1ccc(CN2CCC([N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC000096245631 570224274 /nfs/dbraw/zinc/22/42/74/570224274.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 2 1 375.560 3.715 40 0 GHABMP c1ccc(CN2CCC([NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC000096245631 570224276 /nfs/dbraw/zinc/22/42/76/570224276.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 2 1 375.560 3.715 40 0 GHABMP c1ccc(CN2CCC([NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)CC2)cc1 ZINC000096245631 570224278 /nfs/dbraw/zinc/22/42/78/570224278.db2.gz HAGHCXQFZKADLR-PSWAGMNNSA-N 2 1 375.560 3.715 40 0 GHABMP O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000585289689 570257313 /nfs/dbraw/zinc/25/73/13/570257313.db2.gz LWWAZAFXMAZUPK-RBZQAINGSA-N 2 1 398.522 3.741 40 0 GHABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000038831781 570584656 /nfs/dbraw/zinc/58/46/56/570584656.db2.gz FGCNUJVQZBFGKX-UHFFFAOYSA-N 2 1 388.515 3.766 40 0 GHABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019287741 570970487 /nfs/dbraw/zinc/97/04/87/570970487.db2.gz RYGJOUONLVUSTM-MSYGRNIXSA-N 2 1 394.563 3.697 40 0 GHABMP Cc1[nH+]ccn1C[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019287741 570970492 /nfs/dbraw/zinc/97/04/92/570970492.db2.gz RYGJOUONLVUSTM-MSYGRNIXSA-N 2 1 394.563 3.697 40 0 GHABMP C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccc(OC)c1OC)Cc1ccccc1O2 ZINC000019591989 571019283 /nfs/dbraw/zinc/01/92/83/571019283.db2.gz TVSKYJZWMJRLFO-UHFFFAOYSA-N 2 1 396.531 3.999 40 0 GHABMP O=C(CN1CCCC1)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2 ZINC000000823173 570485012 /nfs/dbraw/zinc/48/50/12/570485012.db2.gz BSKNNLFNODFXEN-UHFFFAOYSA-N 2 1 386.499 3.832 40 0 GHABMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008376993 570530116 /nfs/dbraw/zinc/53/01/16/570530116.db2.gz GSYAKLLWLWVVSC-UHFFFAOYSA-N 2 1 381.289 3.866 40 0 GHABMP Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000224804531 570531335 /nfs/dbraw/zinc/53/13/35/570531335.db2.gz PKOVENBAUJONMG-UHFFFAOYSA-N 2 1 388.515 3.766 40 0 GHABMP COc1ccc(C[N@H+](CCCn2ccnc2)Cc2nc3ccccc3[nH]2)cc1 ZINC000043277702 570626244 /nfs/dbraw/zinc/62/62/44/570626244.db2.gz ZSHMOCSPBFSLCE-UHFFFAOYSA-N 2 1 375.476 3.861 40 0 GHABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C ZINC000019287740 570970614 /nfs/dbraw/zinc/97/06/14/570970614.db2.gz RYGJOUONLVUSTM-IITNATTFSA-N 2 1 394.563 3.697 40 0 GHABMP Cc1[nH+]ccn1C[C@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019287740 570970615 /nfs/dbraw/zinc/97/06/15/570970615.db2.gz RYGJOUONLVUSTM-IITNATTFSA-N 2 1 394.563 3.697 40 0 GHABMP