smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCC[PH+](CCOCC)CC[PH+](CCOCC)CCOCC ZINC000003780929 204019590 /nfs/dbraw/zinc/01/95/90/204019590.db2.gz QCWJONLQSHEGEJ-UHFFFAOYSA-N 2 2 382.462 4.096 40 0 world GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125556 206196816 /nfs/dbraw/zinc/19/68/16/206196816.db2.gz CTTOWBRNCXUOFD-RBUKOAKNSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125556 206196821 /nfs/dbraw/zinc/19/68/21/206196821.db2.gz CTTOWBRNCXUOFD-RBUKOAKNSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000243607188 570457804 /nfs/dbraw/zinc/45/78/04/570457804.db2.gz OWCNIQYPYPOGQK-UHFFFAOYSA-N 2 2 377.492 4.259 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000019216474 570961751 /nfs/dbraw/zinc/96/17/51/570961751.db2.gz XWLHZEWPYKATEO-UHFFFAOYSA-N 2 2 392.503 4.004 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(N3CCCC3=O)cc2)o1 ZINC000019216474 570961753 /nfs/dbraw/zinc/96/17/53/570961753.db2.gz XWLHZEWPYKATEO-UHFFFAOYSA-N 2 2 392.503 4.004 40 0 GIABLP CCn1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c1C ZINC000072353353 205332039 /nfs/dbraw/zinc/33/20/39/205332039.db2.gz XPGASFOYWIJKOK-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP CCn1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c1C ZINC000072353353 205332041 /nfs/dbraw/zinc/33/20/41/205332041.db2.gz XPGASFOYWIJKOK-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)CO[C@H]21 ZINC000257203602 206157881 /nfs/dbraw/zinc/15/78/81/206157881.db2.gz AQVJQSYAHALEGK-PZJWPPBQSA-N 2 2 381.520 4.249 40 0 GIABLP Cc1ccccc1NC(=O)C[NH+]1CCC(c2[nH]c3cc(C)c(C)cc3[nH+]2)CC1 ZINC000035311822 570551570 /nfs/dbraw/zinc/55/15/70/570551570.db2.gz GGGLVCVVXQPAQO-UHFFFAOYSA-N 2 2 376.504 4.306 40 0 GIABLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cccnc2)c1 ZINC000019293764 570973277 /nfs/dbraw/zinc/97/32/77/570973277.db2.gz BVGSYROOSHMQNI-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cccnc2)c1 ZINC000019293764 570973279 /nfs/dbraw/zinc/97/32/79/570973279.db2.gz BVGSYROOSHMQNI-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Cc1cc2c(cc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1)OCO2 ZINC000043277684 205082122 /nfs/dbraw/zinc/08/21/22/205082122.db2.gz PRWNPKCDZVHDJL-UHFFFAOYSA-N 2 2 381.451 4.152 40 0 GIABLP Cc1cc2c(cc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1)OCO2 ZINC000043277684 205082126 /nfs/dbraw/zinc/08/21/26/205082126.db2.gz PRWNPKCDZVHDJL-UHFFFAOYSA-N 2 2 381.451 4.152 40 0 GIABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2nccnc2-n2cc[nH+]c2C(C)C)cc1 ZINC000072359239 205334680 /nfs/dbraw/zinc/33/46/80/205334680.db2.gz AOYVCHGJRFAGLH-IBGZPJMESA-N 2 2 377.492 4.131 40 0 GIABLP COc1ccc(C[N@H+]2CCC[C@H]2c2nccnc2-n2cc[nH+]c2C(C)C)cc1 ZINC000072359239 205334684 /nfs/dbraw/zinc/33/46/84/205334684.db2.gz AOYVCHGJRFAGLH-IBGZPJMESA-N 2 2 377.492 4.131 40 0 GIABLP CCc1[nH+]ccn1-c1cccc(C2CC[NH+](Cc3ccc(OC)cc3)CC2)n1 ZINC000072378686 205339002 /nfs/dbraw/zinc/33/90/02/205339002.db2.gz PLKXRZOPQNAYKO-UHFFFAOYSA-N 2 2 376.504 4.218 40 0 GIABLP Cc1ccc(C[NH+]2CCC[C@]3(C[N@@H+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127074 206197393 /nfs/dbraw/zinc/19/73/93/206197393.db2.gz FOAUYCFPLGNUPU-XMMPIXPASA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[NH+]2CCC[C@]3(C[N@H+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127074 206197399 /nfs/dbraw/zinc/19/73/99/206197399.db2.gz FOAUYCFPLGNUPU-XMMPIXPASA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[N@H+]2CCC[C@]3(C[NH+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127074 206197404 /nfs/dbraw/zinc/19/74/04/206197404.db2.gz FOAUYCFPLGNUPU-XMMPIXPASA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[N@@H+]2CCC[C@]3(C[NH+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127074 206197407 /nfs/dbraw/zinc/19/74/07/206197407.db2.gz FOAUYCFPLGNUPU-XMMPIXPASA-N 3 2 393.575 4.008 40 0 GIABLP c1csc(C[N@@H+]2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096242487 570223095 /nfs/dbraw/zinc/22/30/95/570223095.db2.gz ORHMNXXQWVLLNS-UHFFFAOYSA-N 2 2 395.616 4.193 40 0 GIABLP c1csc(C[N@H+]2Cc3ccccc3C3(CC[NH+](CCN4CCCC4)CC3)C2)c1 ZINC000096242487 570223096 /nfs/dbraw/zinc/22/30/96/570223096.db2.gz ORHMNXXQWVLLNS-UHFFFAOYSA-N 2 2 395.616 4.193 40 0 GIABLP COc1ccccc1-c1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019497387 570990425 /nfs/dbraw/zinc/99/04/25/570990425.db2.gz VCPMNXIKEUVYHL-WOJBJXKFSA-N 2 2 394.559 4.436 40 0 GIABLP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000038753809 205037631 /nfs/dbraw/zinc/03/76/31/205037631.db2.gz HCAUKQUHKVFOQZ-IBGZPJMESA-N 2 2 388.515 4.034 40 0 GIABLP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000038753809 205037636 /nfs/dbraw/zinc/03/76/36/205037636.db2.gz HCAUKQUHKVFOQZ-IBGZPJMESA-N 2 2 388.515 4.034 40 0 GIABLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccn2)c1 ZINC000043277726 205083518 /nfs/dbraw/zinc/08/35/18/205083518.db2.gz BXEDBCGWQZZAIK-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccn2)c1 ZINC000043277726 205083520 /nfs/dbraw/zinc/08/35/20/205083520.db2.gz BXEDBCGWQZZAIK-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000072352029 205333147 /nfs/dbraw/zinc/33/31/47/205333147.db2.gz OLEXUAWVDRJHFW-KRWDZBQOSA-N 2 2 379.483 4.386 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000072352029 205333150 /nfs/dbraw/zinc/33/31/50/205333150.db2.gz OLEXUAWVDRJHFW-KRWDZBQOSA-N 2 2 379.483 4.386 40 0 GIABLP CC[N@H+](Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000257243790 206167004 /nfs/dbraw/zinc/16/70/04/206167004.db2.gz IIOBHAVQSSOHIW-JOCHJYFZSA-N 3 2 396.579 4.135 40 0 GIABLP CC[N@@H+](Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@H]1C[NH2+]C2(C1)CCCCC2 ZINC000257243790 206167009 /nfs/dbraw/zinc/16/70/09/206167009.db2.gz IIOBHAVQSSOHIW-JOCHJYFZSA-N 3 2 396.579 4.135 40 0 GIABLP CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000020485382 570262159 /nfs/dbraw/zinc/26/21/59/570262159.db2.gz QMOFJGRUSDLKKX-UHFFFAOYSA-N 2 2 388.515 4.034 40 0 GIABLP Cc1sc2[nH]c([C@@H](C)[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc(=O)c2c1C ZINC000023873327 570333865 /nfs/dbraw/zinc/33/38/65/570333865.db2.gz OPNKHZPGILHODS-ZIAGYGMSSA-N 2 2 393.516 4.199 40 0 GIABLP Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)[nH+]c2c1 ZINC000005625950 204142906 /nfs/dbraw/zinc/14/29/06/204142906.db2.gz GESJCCYMXCXDBY-UHFFFAOYSA-N 2 2 376.504 4.306 40 0 GIABLP COc1ccc(C[N@H+](Cc2cn(C)nc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186550 204379716 /nfs/dbraw/zinc/37/97/16/204379716.db2.gz YEOHPYKNCNFBPT-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccc(C[N@@H+](Cc2cn(C)nc2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186550 204379721 /nfs/dbraw/zinc/37/97/21/204379721.db2.gz YEOHPYKNCNFBPT-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000036740524 205021784 /nfs/dbraw/zinc/02/17/84/205021784.db2.gz RVPKUVHEYKQTIU-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c(OC)c1 ZINC000036740524 205021786 /nfs/dbraw/zinc/02/17/86/205021786.db2.gz RVPKUVHEYKQTIU-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccn1-c1cccnc1 ZINC000043277842 205083897 /nfs/dbraw/zinc/08/38/97/205083897.db2.gz JDZOUYFFRXQCOZ-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccn1-c1cccnc1 ZINC000043277842 205083900 /nfs/dbraw/zinc/08/39/00/205083900.db2.gz JDZOUYFFRXQCOZ-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Cc1nn(C)cc1C[NH+]1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1 ZINC000257292017 206174679 /nfs/dbraw/zinc/17/46/79/206174679.db2.gz QJPVGXXYMAHMKA-UHFFFAOYSA-N 3 2 390.535 4.259 40 0 GIABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075214 570321799 /nfs/dbraw/zinc/32/17/99/570321799.db2.gz YDMKBNRUYYUWDG-QGZVFWFLSA-N 2 2 398.934 4.132 40 0 GIABLP Cc1cc(F)ccc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329035826 203770100 /nfs/dbraw/zinc/77/01/00/203770100.db2.gz RFRUYBIIZCVKRG-UHFFFAOYSA-N 2 2 379.483 4.120 40 0 GIABLP O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000036752810 205021281 /nfs/dbraw/zinc/02/12/81/205021281.db2.gz FLHDZOKGIBRZEL-LJQANCHMSA-N 2 2 388.515 4.144 40 0 GIABLP O=C1CCCN1c1ccc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000036752810 205021282 /nfs/dbraw/zinc/02/12/82/205021282.db2.gz FLHDZOKGIBRZEL-LJQANCHMSA-N 2 2 388.515 4.144 40 0 GIABLP O=c1c(C[N@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)coc2ccccc12 ZINC000036740221 205021885 /nfs/dbraw/zinc/02/18/85/205021885.db2.gz WJYWOPRCOMXPEA-LJQANCHMSA-N 2 2 377.488 4.238 40 0 GIABLP O=c1c(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]2CC=CCC2)coc2ccccc12 ZINC000036740221 205021889 /nfs/dbraw/zinc/02/18/89/205021889.db2.gz WJYWOPRCOMXPEA-LJQANCHMSA-N 2 2 377.488 4.238 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(-n2cccn2)cc1 ZINC000043277862 205083329 /nfs/dbraw/zinc/08/33/29/205083329.db2.gz SKINTYQHIPRNHZ-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(-n2cccn2)cc1 ZINC000043277862 205083334 /nfs/dbraw/zinc/08/33/34/205083334.db2.gz SKINTYQHIPRNHZ-UHFFFAOYSA-N 2 2 389.478 4.300 40 0 GIABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350652 205332798 /nfs/dbraw/zinc/33/27/98/205332798.db2.gz ZXIMSDYLJZQBKC-FQEVSTJZSA-N 2 2 375.520 4.037 40 0 GIABLP CCc1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350652 205332801 /nfs/dbraw/zinc/33/28/01/205332801.db2.gz ZXIMSDYLJZQBKC-FQEVSTJZSA-N 2 2 375.520 4.037 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379228 205340557 /nfs/dbraw/zinc/34/05/57/205340557.db2.gz SWWYWEPPNYBDDV-SFHVURJKSA-N 2 2 394.494 4.227 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379228 205340561 /nfs/dbraw/zinc/34/05/61/205340561.db2.gz SWWYWEPPNYBDDV-SFHVURJKSA-N 2 2 394.494 4.227 40 0 GIABLP CC[N@H+](Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000257243791 206166488 /nfs/dbraw/zinc/16/64/88/206166488.db2.gz IIOBHAVQSSOHIW-QFIPXVFZSA-N 3 2 396.579 4.135 40 0 GIABLP CC[N@@H+](Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@@H]1C[NH2+]C2(C1)CCCCC2 ZINC000257243791 206166492 /nfs/dbraw/zinc/16/64/92/206166492.db2.gz IIOBHAVQSSOHIW-QFIPXVFZSA-N 3 2 396.579 4.135 40 0 GIABLP Cc1c(C[NH+]2CCC(c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)CC2)cnn1C ZINC000257256934 206168727 /nfs/dbraw/zinc/16/87/27/206168727.db2.gz KNLOVSWSTZTTMI-UHFFFAOYSA-N 3 2 390.535 4.259 40 0 GIABLP C[NH+](C)CCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000243698948 570457646 /nfs/dbraw/zinc/45/76/46/570457646.db2.gz PLLSQNDMJQGDGR-UHFFFAOYSA-N 2 2 379.483 4.258 40 0 GIABLP C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH]c[nH+]1 ZINC000005115833 204111968 /nfs/dbraw/zinc/11/19/68/204111968.db2.gz PMKJGGBYYNEYPA-AWEZNQCLSA-N 2 2 382.430 4.148 40 0 investigational GIABLP C[C@@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]c[nH]1 ZINC000005115833 204111972 /nfs/dbraw/zinc/11/19/72/204111972.db2.gz PMKJGGBYYNEYPA-AWEZNQCLSA-N 2 2 382.430 4.148 40 0 investigational GIABLP O=C1CCCN1c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000036752806 205021138 /nfs/dbraw/zinc/02/11/38/205021138.db2.gz FLHDZOKGIBRZEL-IBGZPJMESA-N 2 2 388.515 4.144 40 0 GIABLP O=C1CCCN1c1ccc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000036752806 205021142 /nfs/dbraw/zinc/02/11/42/205021142.db2.gz FLHDZOKGIBRZEL-IBGZPJMESA-N 2 2 388.515 4.144 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnn(-c3ccccc3)c2)o1 ZINC000043277769 205083655 /nfs/dbraw/zinc/08/36/55/205083655.db2.gz FYJGSCBPGGSZED-UHFFFAOYSA-N 2 2 375.476 4.063 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnn(-c3ccccc3)c2)o1 ZINC000043277769 205083657 /nfs/dbraw/zinc/08/36/57/205083657.db2.gz FYJGSCBPGGSZED-UHFFFAOYSA-N 2 2 375.476 4.063 40 0 GIABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2nccnc2-n2cc[nH+]c2C(C)C)cc1 ZINC000072359240 205334078 /nfs/dbraw/zinc/33/40/78/205334078.db2.gz AOYVCHGJRFAGLH-LJQANCHMSA-N 2 2 377.492 4.131 40 0 GIABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2nccnc2-n2cc[nH+]c2C(C)C)cc1 ZINC000072359240 205334079 /nfs/dbraw/zinc/33/40/79/205334079.db2.gz AOYVCHGJRFAGLH-LJQANCHMSA-N 2 2 377.492 4.131 40 0 GIABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000022075216 570321630 /nfs/dbraw/zinc/32/16/30/570321630.db2.gz YDMKBNRUYYUWDG-KRWDZBQOSA-N 2 2 398.934 4.132 40 0 GIABLP COc1cc(C)c(C[N@@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019566947 571008231 /nfs/dbraw/zinc/00/82/31/571008231.db2.gz BVBVSGRSPOITHB-QFIPXVFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[N@H+]2CCc3nc([C@@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019566947 571008234 /nfs/dbraw/zinc/00/82/34/571008234.db2.gz BVBVSGRSPOITHB-QFIPXVFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[NH+]2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019566947 571008237 /nfs/dbraw/zinc/00/82/37/571008237.db2.gz BVBVSGRSPOITHB-QFIPXVFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[NH+]2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019566947 571008238 /nfs/dbraw/zinc/00/82/38/571008238.db2.gz BVBVSGRSPOITHB-QFIPXVFZSA-N 2 2 394.563 4.126 40 0 GIABLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1coc2ccccc2c1=O ZINC000036740156 205022310 /nfs/dbraw/zinc/02/23/10/205022310.db2.gz PGRNXEUTAGPUTK-UHFFFAOYSA-N 2 2 387.483 4.390 40 0 GIABLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1coc2ccccc2c1=O ZINC000036740156 205022314 /nfs/dbraw/zinc/02/23/14/205022314.db2.gz PGRNXEUTAGPUTK-UHFFFAOYSA-N 2 2 387.483 4.390 40 0 GIABLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000036740168 205022382 /nfs/dbraw/zinc/02/23/82/205022382.db2.gz CEBAELXHWLRDTE-HSZRJFAPSA-N 2 2 393.535 4.180 40 0 GIABLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000036740168 205022383 /nfs/dbraw/zinc/02/23/83/205022383.db2.gz CEBAELXHWLRDTE-HSZRJFAPSA-N 2 2 393.535 4.180 40 0 GIABLP Cc1nc2sccn2c1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C ZINC000043277694 205081717 /nfs/dbraw/zinc/08/17/17/205081717.db2.gz CPYQUHHBXXDXBU-UHFFFAOYSA-N 2 2 379.533 4.302 40 0 GIABLP Cc1nc2sccn2c1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C ZINC000043277694 205081723 /nfs/dbraw/zinc/08/17/23/205081723.db2.gz CPYQUHHBXXDXBU-UHFFFAOYSA-N 2 2 379.533 4.302 40 0 GIABLP COc1cc2c(cc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1C)OCO2 ZINC000043277691 205082240 /nfs/dbraw/zinc/08/22/40/205082240.db2.gz UFPDTEHZHGFHEB-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP COc1cc2c(cc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1C)OCO2 ZINC000043277691 205082243 /nfs/dbraw/zinc/08/22/43/205082243.db2.gz UFPDTEHZHGFHEB-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccn2)o1 ZINC000043277773 205083285 /nfs/dbraw/zinc/08/32/85/205083285.db2.gz RHBVBOAEVDDDEA-UHFFFAOYSA-N 2 2 375.476 4.063 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccccn2)o1 ZINC000043277773 205083287 /nfs/dbraw/zinc/08/32/87/205083287.db2.gz RHBVBOAEVDDDEA-UHFFFAOYSA-N 2 2 375.476 4.063 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c(C)n1 ZINC000072353361 205332180 /nfs/dbraw/zinc/33/21/80/205332180.db2.gz YAQXWWISDPGPTA-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c(C)n1 ZINC000072353361 205332185 /nfs/dbraw/zinc/33/21/85/205332185.db2.gz YAQXWWISDPGPTA-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP CC1=C[C@@H](C[NH2+]CC[NH+](C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882782 206082462 /nfs/dbraw/zinc/08/24/62/206082462.db2.gz OEOHUZDXIRKCGR-FKBYEOEOSA-N 2 2 396.579 4.285 40 0 biogenic,in-vitro GIABLP C[NH+](C)CCC[N@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccccn1 ZINC000013990798 570868247 /nfs/dbraw/zinc/86/82/47/570868247.db2.gz WAYDEBNMEFITGK-UHFFFAOYSA-N 2 2 399.542 4.374 40 0 GIABLP C[NH+](C)CCC[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)Cc1ccccn1 ZINC000013990798 570868252 /nfs/dbraw/zinc/86/82/52/570868252.db2.gz WAYDEBNMEFITGK-UHFFFAOYSA-N 2 2 399.542 4.374 40 0 GIABLP COc1cc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992645 570868675 /nfs/dbraw/zinc/86/86/75/570868675.db2.gz YNCXQTGXXGSMIM-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP COc1cc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992645 570868679 /nfs/dbraw/zinc/86/86/79/570868679.db2.gz YNCXQTGXXGSMIM-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP COc1cc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992656 570868697 /nfs/dbraw/zinc/86/86/97/570868697.db2.gz BBZXDSMTVOPIOU-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1cc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992656 570868701 /nfs/dbraw/zinc/86/87/01/570868701.db2.gz BBZXDSMTVOPIOU-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP Cc1cccc(Cl)c1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000329004419 206241408 /nfs/dbraw/zinc/24/14/08/206241408.db2.gz KSICTYGSAVFADG-UHFFFAOYSA-N 2 2 395.938 4.056 40 0 GIABLP COc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000243197990 570457036 /nfs/dbraw/zinc/45/70/36/570457036.db2.gz KDGXPBVEXRQXFJ-UHFFFAOYSA-N 2 2 391.519 4.128 40 0 GIABLP C[NH+](C)CCCNc1nc(NCCc2ccccc2)cc(-c2ccccc2)[nH+]1 ZINC000244338031 570458237 /nfs/dbraw/zinc/45/82/37/570458237.db2.gz XRWHXNIJVDCPCV-UHFFFAOYSA-N 2 2 375.520 4.162 40 0 GIABLP CCOc1cc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992661 570868722 /nfs/dbraw/zinc/86/87/22/570868722.db2.gz WFYZCJMJERXGGJ-UHFFFAOYSA-N 2 2 397.563 4.497 40 0 GIABLP CCOc1cc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992661 570868725 /nfs/dbraw/zinc/86/87/25/570868725.db2.gz WFYZCJMJERXGGJ-UHFFFAOYSA-N 2 2 397.563 4.497 40 0 GIABLP CC1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)CC1 ZINC000022522020 207254835 /nfs/dbraw/zinc/25/48/35/207254835.db2.gz AFLHBFPQOKGVJQ-UHFFFAOYSA-N 2 2 388.515 4.034 40 0 GIABLP Cc1c(C[N@@H+]2CCC[C@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)cnn1C ZINC000072374948 208007493 /nfs/dbraw/zinc/00/74/93/208007493.db2.gz JIVPRNKSQXRSCK-IBGZPJMESA-N 3 2 390.535 4.259 40 0 GIABLP Cc1c(C[N@H+]2CCC[C@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)cnn1C ZINC000072374948 208007499 /nfs/dbraw/zinc/00/74/99/208007499.db2.gz JIVPRNKSQXRSCK-IBGZPJMESA-N 3 2 390.535 4.259 40 0 GIABLP Cc1ccc(C[N@@H+]2CCC[C@@]3(C[NH+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127073 209098119 /nfs/dbraw/zinc/09/81/19/209098119.db2.gz FOAUYCFPLGNUPU-DEOSSOPVSA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[NH+]2CCC[C@@]3(C[N@@H+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127073 209098113 /nfs/dbraw/zinc/09/81/13/209098113.db2.gz FOAUYCFPLGNUPU-DEOSSOPVSA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127073 209098115 /nfs/dbraw/zinc/09/81/15/209098115.db2.gz FOAUYCFPLGNUPU-DEOSSOPVSA-N 3 2 393.575 4.008 40 0 GIABLP Cc1ccc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4ccccc4)CC34C[NH+](C)C4)CC2)o1 ZINC000306127073 209098118 /nfs/dbraw/zinc/09/81/18/209098118.db2.gz FOAUYCFPLGNUPU-DEOSSOPVSA-N 3 2 393.575 4.008 40 0 GIABLP COc1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740545 570569544 /nfs/dbraw/zinc/56/95/44/570569544.db2.gz OLEFKGJKIANDSC-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740545 570569545 /nfs/dbraw/zinc/56/95/45/570569545.db2.gz OLEFKGJKIANDSC-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353358 208001640 /nfs/dbraw/zinc/00/16/40/208001640.db2.gz PWTSGNCPPWRWIJ-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353358 208001646 /nfs/dbraw/zinc/00/16/46/208001646.db2.gz PWTSGNCPPWRWIJ-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379121 208011707 /nfs/dbraw/zinc/01/17/07/208011707.db2.gz KNBPVFLXYWMHFN-LJQANCHMSA-N 2 2 376.504 4.218 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379121 208011711 /nfs/dbraw/zinc/01/17/11/208011711.db2.gz KNBPVFLXYWMHFN-LJQANCHMSA-N 2 2 376.504 4.218 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125554 209098262 /nfs/dbraw/zinc/09/82/62/209098262.db2.gz CTTOWBRNCXUOFD-MOPGFXCFSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125554 209098265 /nfs/dbraw/zinc/09/82/65/209098265.db2.gz CTTOWBRNCXUOFD-MOPGFXCFSA-N 2 2 377.463 4.002 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@H+](CCN3CCCC3=O)C2)[nH+]1 ZINC000257208099 209055719 /nfs/dbraw/zinc/05/57/19/209055719.db2.gz BKTIAXAUVAIAEP-SFHVURJKSA-N 2 2 396.510 4.075 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](CCN3CCCC3=O)C2)[nH+]1 ZINC000257208099 209055723 /nfs/dbraw/zinc/05/57/23/209055723.db2.gz BKTIAXAUVAIAEP-SFHVURJKSA-N 2 2 396.510 4.075 40 0 GIABLP CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1C ZINC000257340949 209078553 /nfs/dbraw/zinc/07/85/53/209078553.db2.gz ZIFXZZWDSGRJAI-KRWDZBQOSA-N 2 2 396.564 4.495 40 0 GIABLP CCn1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1C ZINC000257340949 209078555 /nfs/dbraw/zinc/07/85/55/209078555.db2.gz ZIFXZZWDSGRJAI-KRWDZBQOSA-N 2 2 396.564 4.495 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350547 222238133 /nfs/dbraw/zinc/23/81/33/222238133.db2.gz BBCSDRMLUBUTCC-FQEVSTJZSA-N 2 2 375.520 4.208 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350547 222238135 /nfs/dbraw/zinc/23/81/35/222238135.db2.gz BBCSDRMLUBUTCC-FQEVSTJZSA-N 2 2 375.520 4.208 40 0 GIABLP COc1ccc2c(c1)C=C(C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1)CO2 ZINC000036740268 570568477 /nfs/dbraw/zinc/56/84/77/570568477.db2.gz LWCBRKDXODCAKR-UHFFFAOYSA-N 2 2 393.487 4.161 40 0 GIABLP COc1ccc2c(c1)C=C(C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C)o1)CO2 ZINC000036740268 570568482 /nfs/dbraw/zinc/56/84/82/570568482.db2.gz LWCBRKDXODCAKR-UHFFFAOYSA-N 2 2 393.487 4.161 40 0 GIABLP COc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013991148 570868472 /nfs/dbraw/zinc/86/84/72/570868472.db2.gz CDKUUIMEGRHNQP-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP COc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc3c(cc2C)OCO3)cc1 ZINC000013991148 570868474 /nfs/dbraw/zinc/86/84/74/570868474.db2.gz CDKUUIMEGRHNQP-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP CCCc1ncc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019525702 207128785 /nfs/dbraw/zinc/12/87/85/207128785.db2.gz OHLYYPZXTYYBGJ-UHFFFAOYSA-N 2 2 381.568 4.136 40 0 GIABLP CCCc1ncc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000019525702 207128788 /nfs/dbraw/zinc/12/87/88/207128788.db2.gz OHLYYPZXTYYBGJ-UHFFFAOYSA-N 2 2 381.568 4.136 40 0 GIABLP CCn1ncc(C[N@@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c1C ZINC000072353352 208000730 /nfs/dbraw/zinc/00/07/30/208000730.db2.gz XPGASFOYWIJKOK-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP CCn1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c1C ZINC000072353352 208000733 /nfs/dbraw/zinc/00/07/33/208000733.db2.gz XPGASFOYWIJKOK-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350509 222238170 /nfs/dbraw/zinc/23/81/70/222238170.db2.gz KOBPNLQWCRETHU-SFHVURJKSA-N 2 2 379.483 4.304 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350509 222238172 /nfs/dbraw/zinc/23/81/72/222238172.db2.gz KOBPNLQWCRETHU-SFHVURJKSA-N 2 2 379.483 4.304 40 0 GIABLP Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c(Cl)c1 ZINC000329062320 570216067 /nfs/dbraw/zinc/21/60/67/570216067.db2.gz WWPNZEUUTBAXBS-UHFFFAOYSA-N 2 2 395.938 4.056 40 0 GIABLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC000057776060 570373517 /nfs/dbraw/zinc/37/35/17/570373517.db2.gz UWFOIQSTRPNWLQ-FQEVSTJZSA-N 2 2 396.579 4.102 40 0 GIABLP Cc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000036740167 570568593 /nfs/dbraw/zinc/56/85/93/570568593.db2.gz CEBAELXHWLRDTE-QHCPKHFHSA-N 2 2 393.535 4.180 40 0 GIABLP Cc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000036740167 570568595 /nfs/dbraw/zinc/56/85/95/570568595.db2.gz CEBAELXHWLRDTE-QHCPKHFHSA-N 2 2 393.535 4.180 40 0 GIABLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnn2[C@@H]2CCCCO2)c1 ZINC000043277724 570626198 /nfs/dbraw/zinc/62/61/98/570626198.db2.gz ONTDABFQABDONL-QFIPXVFZSA-N 2 2 397.498 4.010 40 0 GIABLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnn2[C@@H]2CCCCO2)c1 ZINC000043277724 570626201 /nfs/dbraw/zinc/62/62/01/570626201.db2.gz ONTDABFQABDONL-QFIPXVFZSA-N 2 2 397.498 4.010 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1c[nH]cc2c(Cl)nnc1-2 ZINC000043277860 570626941 /nfs/dbraw/zinc/62/69/41/570626941.db2.gz PQFLDECCRYIVFH-UHFFFAOYSA-N 2 2 398.873 4.039 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1c[nH]cc2c(Cl)nnc1-2 ZINC000043277860 570626946 /nfs/dbraw/zinc/62/69/46/570626946.db2.gz PQFLDECCRYIVFH-UHFFFAOYSA-N 2 2 398.873 4.039 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353359 208000262 /nfs/dbraw/zinc/00/02/62/208000262.db2.gz PWTSGNCPPWRWIJ-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)c(C)n1 ZINC000072353359 208000269 /nfs/dbraw/zinc/00/02/69/208000269.db2.gz PWTSGNCPPWRWIJ-LJQANCHMSA-N 2 2 390.535 4.433 40 0 GIABLP COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000240705917 570455864 /nfs/dbraw/zinc/45/58/64/570455864.db2.gz ALHJGXCYZVALAB-UHFFFAOYSA-N 2 2 377.492 4.259 40 0 GIABLP COc1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740525 570569476 /nfs/dbraw/zinc/56/94/76/570569476.db2.gz HBTYHRKGJQHKOA-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740525 570569479 /nfs/dbraw/zinc/56/94/79/570569479.db2.gz HBTYHRKGJQHKOA-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cc(C)ccn2)o1 ZINC000043277756 570626417 /nfs/dbraw/zinc/62/64/17/570626417.db2.gz ZKGMHQVVXRJKSP-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cc(C)ccn2)o1 ZINC000043277756 570626422 /nfs/dbraw/zinc/62/64/22/570626422.db2.gz ZKGMHQVVXRJKSP-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP Cc1cc(Nc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)ccc1F ZINC000329029053 206241437 /nfs/dbraw/zinc/24/14/37/206241437.db2.gz PWYHYRYWBLHUHQ-UHFFFAOYSA-N 2 2 379.483 4.120 40 0 GIABLP Cc1sc2[nH]c([C@H](C)[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc(=O)c2c1C ZINC000023873325 207285106 /nfs/dbraw/zinc/28/51/06/207285106.db2.gz OPNKHZPGILHODS-KGLIPLIRSA-N 2 2 393.516 4.199 40 0 GIABLP COc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1Cn1cc[nH+]c1 ZINC000012116536 570611400 /nfs/dbraw/zinc/61/14/00/570611400.db2.gz MEFPGNQLJVEEME-UHFFFAOYSA-N 2 2 388.471 4.130 40 0 GIABLP COc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1Cn1cc[nH+]c1 ZINC000012116536 570611404 /nfs/dbraw/zinc/61/14/04/570611404.db2.gz MEFPGNQLJVEEME-UHFFFAOYSA-N 2 2 388.471 4.130 40 0 GIABLP Cc1sc2[nH]c([C@@H](C)[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc(=O)c2c1C ZINC000023873328 207285059 /nfs/dbraw/zinc/28/50/59/207285059.db2.gz OPNKHZPGILHODS-UONOGXRCSA-N 2 2 393.516 4.199 40 0 GIABLP COc1ccc(OC)c(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992688 570869062 /nfs/dbraw/zinc/86/90/62/570869062.db2.gz FTRHSCYWPXNJNY-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(OC)c(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992688 570869064 /nfs/dbraw/zinc/86/90/64/570869064.db2.gz FTRHSCYWPXNJNY-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CCn1c2ccccc2nc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019524289 207129116 /nfs/dbraw/zinc/12/91/16/207129116.db2.gz DPSKUUVYXSZDST-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP CCn1c2ccccc2nc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000019524289 207129120 /nfs/dbraw/zinc/12/91/20/207129120.db2.gz DPSKUUVYXSZDST-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP COc1ccc(CC[N@@H+]2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372523 208005391 /nfs/dbraw/zinc/00/53/91/208005391.db2.gz UAMUIJZBQZUMDU-JOCHJYFZSA-N 2 2 389.503 4.312 40 0 GIABLP COc1ccc(CC[N@H+]2CCC[C@@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372523 208005394 /nfs/dbraw/zinc/00/53/94/208005394.db2.gz UAMUIJZBQZUMDU-JOCHJYFZSA-N 2 2 389.503 4.312 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136526 209104781 /nfs/dbraw/zinc/10/47/81/209104781.db2.gz PVZCCAZHIHVDPR-OALUTQOASA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136526 209104783 /nfs/dbraw/zinc/10/47/83/209104783.db2.gz PVZCCAZHIHVDPR-OALUTQOASA-N 2 2 377.463 4.002 40 0 GIABLP CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1C ZINC000257340950 209078892 /nfs/dbraw/zinc/07/88/92/209078892.db2.gz ZIFXZZWDSGRJAI-QGZVFWFLSA-N 2 2 396.564 4.495 40 0 GIABLP CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)c1C ZINC000257340950 209078895 /nfs/dbraw/zinc/07/88/95/209078895.db2.gz ZIFXZZWDSGRJAI-QGZVFWFLSA-N 2 2 396.564 4.495 40 0 GIABLP CC(C)CC[NH+]1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473828 560043199 /nfs/dbraw/zinc/04/31/99/560043199.db2.gz YLJAVLDWMMMADN-UHFFFAOYSA-N 2 2 399.604 4.031 40 0 biogenic,in-vitro GIABLP CC(C)CC[NH+]1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225473828 560043200 /nfs/dbraw/zinc/04/32/00/560043200.db2.gz YLJAVLDWMMMADN-UHFFFAOYSA-N 2 2 399.604 4.031 40 0 biogenic,in-vitro GIABLP Cc1cc2c(cc1C[N@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000036740516 570569200 /nfs/dbraw/zinc/56/92/00/570569200.db2.gz LRNARSVGYXWWJU-UHFFFAOYSA-N 2 2 395.547 4.430 40 0 GIABLP Cc1cc2c(cc1C[N@@H+](Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000036740516 570569206 /nfs/dbraw/zinc/56/92/06/570569206.db2.gz LRNARSVGYXWWJU-UHFFFAOYSA-N 2 2 395.547 4.430 40 0 GIABLP COC(=O)c1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992650 570868942 /nfs/dbraw/zinc/86/89/42/570868942.db2.gz CFZCDPUPABJPII-UHFFFAOYSA-N 2 2 395.547 4.180 40 0 GIABLP COC(=O)c1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992650 570868945 /nfs/dbraw/zinc/86/89/45/570868945.db2.gz CFZCDPUPABJPII-UHFFFAOYSA-N 2 2 395.547 4.180 40 0 GIABLP COc1cc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992676 570869056 /nfs/dbraw/zinc/86/90/56/570869056.db2.gz ZHGKCDCBWWUTTM-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP COc1cc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992676 570869057 /nfs/dbraw/zinc/86/90/57/570869057.db2.gz ZHGKCDCBWWUTTM-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP CC(C)(C)c1cn2cccc(CC3(O)CC[NH+](Cc4ccccc4)CC3)c2[nH+]1 ZINC000019084587 210225957 /nfs/dbraw/zinc/22/59/57/210225957.db2.gz JWHZPKJVOCWNNP-UHFFFAOYSA-N 2 2 377.532 4.201 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c(C)n1 ZINC000072353360 211097562 /nfs/dbraw/zinc/09/75/62/211097562.db2.gz YAQXWWISDPGPTA-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)c(C)n1 ZINC000072353360 211097566 /nfs/dbraw/zinc/09/75/66/211097566.db2.gz YAQXWWISDPGPTA-IBGZPJMESA-N 2 2 390.535 4.433 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000036740269 570568633 /nfs/dbraw/zinc/56/86/33/570568633.db2.gz HJUIRUHXLMNJPN-UHFFFAOYSA-N 3 2 389.503 4.371 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000036740269 570568634 /nfs/dbraw/zinc/56/86/34/570568634.db2.gz HJUIRUHXLMNJPN-UHFFFAOYSA-N 3 2 389.503 4.371 40 0 GIABLP C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796940 570711163 /nfs/dbraw/zinc/71/11/63/570711163.db2.gz PCYFMWKQBFRPDZ-WZONZLPQSA-N 2 2 388.552 4.122 40 0 GIABLP C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796940 570711165 /nfs/dbraw/zinc/71/11/65/570711165.db2.gz PCYFMWKQBFRPDZ-WZONZLPQSA-N 2 2 388.552 4.122 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379224 211107169 /nfs/dbraw/zinc/10/71/69/211107169.db2.gz LAIIGWLQTUBAQA-HXUWFJFHSA-N 2 2 380.467 4.185 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379224 211107174 /nfs/dbraw/zinc/10/71/74/211107174.db2.gz LAIIGWLQTUBAQA-HXUWFJFHSA-N 2 2 380.467 4.185 40 0 GIABLP COc1ccc(C[N@@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378692 211104450 /nfs/dbraw/zinc/10/44/50/211104450.db2.gz MOVYXBMSJSYPMJ-HXUWFJFHSA-N 2 2 377.492 4.131 40 0 GIABLP COc1ccc(C[N@H+]2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378692 211104456 /nfs/dbraw/zinc/10/44/56/211104456.db2.gz MOVYXBMSJSYPMJ-HXUWFJFHSA-N 2 2 377.492 4.131 40 0 GIABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075225 570321650 /nfs/dbraw/zinc/32/16/50/570321650.db2.gz FHEROJKPWBCFSN-KRWDZBQOSA-N 2 2 398.934 4.132 40 0 GIABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)cc2c1OCO2 ZINC000043277698 570626142 /nfs/dbraw/zinc/62/61/42/570626142.db2.gz BNKMPHHDKMWFKA-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccccc2C)cc2c1OCO2 ZINC000043277698 570626145 /nfs/dbraw/zinc/62/61/45/570626145.db2.gz BNKMPHHDKMWFKA-UHFFFAOYSA-N 2 2 393.487 4.021 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c[nH]nc2-c2cccs2)o1 ZINC000043277754 570626209 /nfs/dbraw/zinc/62/62/09/570626209.db2.gz RFTYFZNJNZJFRJ-UHFFFAOYSA-N 2 2 381.505 4.329 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c[nH]nc2-c2cccs2)o1 ZINC000043277754 570626212 /nfs/dbraw/zinc/62/62/12/570626212.db2.gz RFTYFZNJNZJFRJ-UHFFFAOYSA-N 2 2 381.505 4.329 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000043277858 570627185 /nfs/dbraw/zinc/62/71/85/570627185.db2.gz DFLIPMUAYAIEJH-JOCHJYFZSA-N 2 2 397.498 4.010 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@H]1CCCCO1 ZINC000043277858 570627187 /nfs/dbraw/zinc/62/71/87/570627187.db2.gz DFLIPMUAYAIEJH-JOCHJYFZSA-N 2 2 397.498 4.010 40 0 GIABLP COc1ccc(C[NH+]2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)c(OC)c1 ZINC000019240574 210236283 /nfs/dbraw/zinc/23/62/83/210236283.db2.gz DSBDASJRGUFBMU-UHFFFAOYSA-N 2 2 385.533 4.409 40 0 GIABLP CC(=O)Nc1ccc(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740531 570569416 /nfs/dbraw/zinc/56/94/16/570569416.db2.gz QGMSHGCUTOBJTH-UHFFFAOYSA-N 2 2 394.563 4.351 40 0 GIABLP CC(=O)Nc1ccc(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740531 570569417 /nfs/dbraw/zinc/56/94/17/570569417.db2.gz QGMSHGCUTOBJTH-UHFFFAOYSA-N 2 2 394.563 4.351 40 0 GIABLP Cc1nc2sccn2c1C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000043277849 570627160 /nfs/dbraw/zinc/62/71/60/570627160.db2.gz JDDLNCXYDVHGHK-UHFFFAOYSA-N 2 2 383.496 4.132 40 0 GIABLP Cc1nc2sccn2c1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000043277849 570627162 /nfs/dbraw/zinc/62/71/62/570627162.db2.gz JDDLNCXYDVHGHK-UHFFFAOYSA-N 2 2 383.496 4.132 40 0 GIABLP CCn1cc(C[NH+]2CCC(c3ccc(Nc4[nH+]cccc4C)cn3)CC2)c(C)n1 ZINC000072374258 211105536 /nfs/dbraw/zinc/10/55/36/211105536.db2.gz RXEBSDBPSVNRLD-UHFFFAOYSA-N 2 2 390.535 4.433 40 0 GIABLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)cc1 ZINC000035291737 570551253 /nfs/dbraw/zinc/55/12/53/570551253.db2.gz SZYYTQJDELNHQH-UHFFFAOYSA-N 2 2 392.503 4.006 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000043277857 570627052 /nfs/dbraw/zinc/62/70/52/570627052.db2.gz DFLIPMUAYAIEJH-QFIPXVFZSA-N 2 2 397.498 4.010 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnn1[C@@H]1CCCCO1 ZINC000043277857 570627056 /nfs/dbraw/zinc/62/70/56/570627056.db2.gz DFLIPMUAYAIEJH-QFIPXVFZSA-N 2 2 397.498 4.010 40 0 GIABLP COc1cc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)cc2c1OCO2 ZINC000043277890 570627120 /nfs/dbraw/zinc/62/71/20/570627120.db2.gz ADKHEGOITKEHQC-UHFFFAOYSA-N 2 2 399.516 4.083 40 0 GIABLP COc1cc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C)s2)cc2c1OCO2 ZINC000043277890 570627124 /nfs/dbraw/zinc/62/71/24/570627124.db2.gz ADKHEGOITKEHQC-UHFFFAOYSA-N 2 2 399.516 4.083 40 0 GIABLP COc1ccc(OC)c(C[N@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992653 570868953 /nfs/dbraw/zinc/86/89/53/570868953.db2.gz MSHCVEXTBSWALB-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(OC)c(C[N@@H+](Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992653 570868956 /nfs/dbraw/zinc/86/89/56/570868956.db2.gz MSHCVEXTBSWALB-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CCn1ncc(C[NH+]2CCC(c3ccc(Nc4[nH+]cccc4C)cn3)CC2)c1C ZINC000072374251 211104891 /nfs/dbraw/zinc/10/48/91/211104891.db2.gz JZYUGRKITXUMRN-UHFFFAOYSA-N 2 2 390.535 4.433 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350508 211097463 /nfs/dbraw/zinc/09/74/63/211097463.db2.gz KOBPNLQWCRETHU-GOSISDBHSA-N 2 2 379.483 4.304 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072350508 211097466 /nfs/dbraw/zinc/09/74/66/211097466.db2.gz KOBPNLQWCRETHU-GOSISDBHSA-N 2 2 379.483 4.304 40 0 GIABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350651 211097025 /nfs/dbraw/zinc/09/70/25/211097025.db2.gz ZXIMSDYLJZQBKC-HXUWFJFHSA-N 2 2 375.520 4.037 40 0 GIABLP CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350651 211097030 /nfs/dbraw/zinc/09/70/30/211097030.db2.gz ZXIMSDYLJZQBKC-HXUWFJFHSA-N 2 2 375.520 4.037 40 0 GIABLP CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019718472 210288765 /nfs/dbraw/zinc/28/87/65/210288765.db2.gz DNVSMCNXFOHHKH-QGZVFWFLSA-N 2 2 376.504 4.394 40 0 GIABLP COc1ccc2nc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccc(C)o3)ccc2c1 ZINC000036740265 570568698 /nfs/dbraw/zinc/56/86/98/570568698.db2.gz GAPZRMOFLMXWGV-UHFFFAOYSA-N 2 2 390.487 4.434 40 0 GIABLP COc1ccc2nc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccc(C)o3)ccc2c1 ZINC000036740265 570568700 /nfs/dbraw/zinc/56/87/00/570568700.db2.gz GAPZRMOFLMXWGV-UHFFFAOYSA-N 2 2 390.487 4.434 40 0 GIABLP Fc1cccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccnn2[C@H]2CCCCO2)c1 ZINC000043277725 570626295 /nfs/dbraw/zinc/62/62/95/570626295.db2.gz ONTDABFQABDONL-JOCHJYFZSA-N 2 2 397.498 4.010 40 0 GIABLP Fc1cccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccnn2[C@H]2CCCCO2)c1 ZINC000043277725 570626298 /nfs/dbraw/zinc/62/62/98/570626298.db2.gz ONTDABFQABDONL-JOCHJYFZSA-N 2 2 397.498 4.010 40 0 GIABLP C[C@@H]1Cc2cc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)ccc2O1 ZINC000043277864 570627144 /nfs/dbraw/zinc/62/71/44/570627144.db2.gz IFWBOHUNBMDNKM-GOSISDBHSA-N 2 2 379.479 4.438 40 0 GIABLP C[C@@H]1Cc2cc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)ccc2O1 ZINC000043277864 570627147 /nfs/dbraw/zinc/62/71/47/570627147.db2.gz IFWBOHUNBMDNKM-GOSISDBHSA-N 2 2 379.479 4.438 40 0 GIABLP C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c(O)c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796937 570710870 /nfs/dbraw/zinc/71/08/70/570710870.db2.gz PCYFMWKQBFRPDZ-MBSDFSHPSA-N 2 2 388.552 4.122 40 0 GIABLP C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c(O)c(C[NH+]3CCCCCC3)coc1=O)C2 ZINC000100796937 570710872 /nfs/dbraw/zinc/71/08/72/570710872.db2.gz PCYFMWKQBFRPDZ-MBSDFSHPSA-N 2 2 388.552 4.122 40 0 GIABLP Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)cnn1C ZINC000072374947 211105228 /nfs/dbraw/zinc/10/52/28/211105228.db2.gz JIVPRNKSQXRSCK-LJQANCHMSA-N 3 2 390.535 4.259 40 0 GIABLP Cc1c(C[N@H+]2CCC[C@@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)cnn1C ZINC000072374947 211105230 /nfs/dbraw/zinc/10/52/30/211105230.db2.gz JIVPRNKSQXRSCK-LJQANCHMSA-N 3 2 390.535 4.259 40 0 GIABLP CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCCC1 ZINC000019718471 210289276 /nfs/dbraw/zinc/28/92/76/210289276.db2.gz DNVSMCNXFOHHKH-KRWDZBQOSA-N 2 2 376.504 4.394 40 0 GIABLP O=c1c(C[N@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)coc2ccccc12 ZINC000036740220 570568739 /nfs/dbraw/zinc/56/87/39/570568739.db2.gz WJYWOPRCOMXPEA-IBGZPJMESA-N 2 2 377.488 4.238 40 0 GIABLP O=c1c(C[N@@H+](CCCn2cc[nH+]c2)C[C@H]2CC=CCC2)coc2ccccc12 ZINC000036740220 570568742 /nfs/dbraw/zinc/56/87/42/570568742.db2.gz WJYWOPRCOMXPEA-IBGZPJMESA-N 2 2 377.488 4.238 40 0 GIABLP CCn1c2ccccc2nc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000043277676 570626238 /nfs/dbraw/zinc/62/62/38/570626238.db2.gz SBXLXGLYRQIWRM-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP CCn1c2ccccc2nc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000043277676 570626240 /nfs/dbraw/zinc/62/62/40/570626240.db2.gz SBXLXGLYRQIWRM-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(=O)N1c3ccccc3Sc3ccccc31)C2 ZINC000016248953 210187598 /nfs/dbraw/zinc/18/75/98/210187598.db2.gz MNQJAPRDZQBWJP-ALOPSCKCSA-N 2 2 379.529 4.031 40 0 GIABLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC(=O)N1c3ccccc3Sc3ccccc31)C2 ZINC000016248953 210187600 /nfs/dbraw/zinc/18/76/00/210187600.db2.gz MNQJAPRDZQBWJP-ALOPSCKCSA-N 2 2 379.529 4.031 40 0 GIABLP CNc1cc([C@@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCCCC2)cc[nH+]1 ZINC000257238956 212009138 /nfs/dbraw/zinc/00/91/38/212009138.db2.gz HNFXFGFRAWQSEZ-NRFANRHFSA-N 2 2 378.520 4.087 40 0 GIABLP COc1ccc(CC[N@@H+]2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372522 211102432 /nfs/dbraw/zinc/10/24/32/211102432.db2.gz UAMUIJZBQZUMDU-QFIPXVFZSA-N 2 2 389.503 4.312 40 0 GIABLP COc1ccc(CC[N@H+]2CCC[C@H]2c2cc(Nc3cnccn3)cc(C)[nH+]2)cc1 ZINC000072372522 211102434 /nfs/dbraw/zinc/10/24/34/211102434.db2.gz UAMUIJZBQZUMDU-QFIPXVFZSA-N 2 2 389.503 4.312 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1 ZINC000072353379 211097394 /nfs/dbraw/zinc/09/73/94/211097394.db2.gz JNBDGUIGMPNOLP-LJQANCHMSA-N 2 2 376.508 4.125 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1 ZINC000072353379 211097399 /nfs/dbraw/zinc/09/73/99/211097399.db2.gz JNBDGUIGMPNOLP-LJQANCHMSA-N 2 2 376.508 4.125 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350546 211096741 /nfs/dbraw/zinc/09/67/41/211096741.db2.gz BBCSDRMLUBUTCC-HXUWFJFHSA-N 2 2 375.520 4.208 40 0 GIABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072350546 211096742 /nfs/dbraw/zinc/09/67/42/211096742.db2.gz BBCSDRMLUBUTCC-HXUWFJFHSA-N 2 2 375.520 4.208 40 0 GIABLP CCn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1 ZINC000072353378 211096299 /nfs/dbraw/zinc/09/62/99/211096299.db2.gz JNBDGUIGMPNOLP-IBGZPJMESA-N 2 2 376.508 4.125 40 0 GIABLP CCn1cc(C[N@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1 ZINC000072353378 211096303 /nfs/dbraw/zinc/09/63/03/211096303.db2.gz JNBDGUIGMPNOLP-IBGZPJMESA-N 2 2 376.508 4.125 40 0 GIABLP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000030860471 570499233 /nfs/dbraw/zinc/49/92/33/570499233.db2.gz XHEJWBKZMRJKJL-LJQANCHMSA-N 2 2 388.515 4.034 40 0 GIABLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000030860471 570499234 /nfs/dbraw/zinc/49/92/34/570499234.db2.gz XHEJWBKZMRJKJL-LJQANCHMSA-N 2 2 388.515 4.034 40 0 GIABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000043277822 570627016 /nfs/dbraw/zinc/62/70/16/570627016.db2.gz UQXVTKPQHHVNRA-IBGZPJMESA-N 2 2 391.515 4.308 40 0 GIABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000043277822 570627019 /nfs/dbraw/zinc/62/70/19/570627019.db2.gz UQXVTKPQHHVNRA-IBGZPJMESA-N 2 2 391.515 4.308 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ncccc2C)o1 ZINC000043277763 570627210 /nfs/dbraw/zinc/62/72/10/570627210.db2.gz GUQDFIBEHJRYSY-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ncccc2C)o1 ZINC000043277763 570627213 /nfs/dbraw/zinc/62/72/13/570627213.db2.gz GUQDFIBEHJRYSY-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP CC[NH+](CC)CCC[C@@H](C)Nc1cc(OC)c2[nH+]c(C)cc(OC)c2c1OC ZINC000001563140 209332758 /nfs/dbraw/zinc/33/27/58/209332758.db2.gz KIQWWLHFEKTYBR-OAHLLOKOSA-N 2 2 389.540 4.491 40 0 GIABLP C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH]c[nH+]1 ZINC000003995455 570353823 /nfs/dbraw/zinc/35/38/23/570353823.db2.gz PMKJGGBYYNEYPA-CQSZACIVSA-N 2 2 382.430 4.148 40 0 investigational GIABLP C[C@H](CCCCC(=O)Nc1ccc(C(F)(F)F)cc1)[NH2+]CCc1c[nH+]c[nH]1 ZINC000003995455 570353828 /nfs/dbraw/zinc/35/38/28/570353828.db2.gz PMKJGGBYYNEYPA-CQSZACIVSA-N 2 2 382.430 4.148 40 0 investigational GIABLP C[NH+](C)CCCNc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000244220714 570458194 /nfs/dbraw/zinc/45/81/94/570458194.db2.gz VZRDESBNDVXVMC-UHFFFAOYSA-N 2 2 379.483 4.258 40 0 GIABLP Cc1ccc(CNc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)cc1 ZINC000244047114 570458391 /nfs/dbraw/zinc/45/83/91/570458391.db2.gz SZZDAZBPBXJLAD-UHFFFAOYSA-N 2 2 375.520 4.428 40 0 GIABLP Cc1ccccc1CNc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1 ZINC000244226457 570458464 /nfs/dbraw/zinc/45/84/64/570458464.db2.gz WCXPVJFSQBKTCR-UHFFFAOYSA-N 2 2 375.520 4.428 40 0 GIABLP COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+](C)C)cc1 ZINC000006871433 570497415 /nfs/dbraw/zinc/49/74/15/570497415.db2.gz LIQIHPYNFKYWHV-UHFFFAOYSA-N 2 2 387.487 4.070 40 0 GIABLP COc1cccc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC ZINC000036740495 570569323 /nfs/dbraw/zinc/56/93/23/570569323.db2.gz LBJGYSXNYHORDD-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1cccc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1OC ZINC000036740495 570569326 /nfs/dbraw/zinc/56/93/26/570569326.db2.gz LBJGYSXNYHORDD-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccc(C)cn2)o1 ZINC000043277778 570627106 /nfs/dbraw/zinc/62/71/06/570627106.db2.gz OJMWRDFDLLQNHE-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2ccc(C)cn2)o1 ZINC000043277778 570627108 /nfs/dbraw/zinc/62/71/08/570627108.db2.gz OJMWRDFDLLQNHE-UHFFFAOYSA-N 2 2 389.503 4.371 40 0 GIABLP Fc1ccccc1C[N@H+](CCCn1cc[nH+]c1)CC1=Cc2ccccc2OC1 ZINC000043277841 570627178 /nfs/dbraw/zinc/62/71/78/570627178.db2.gz KPEOEQAOGSJWFU-UHFFFAOYSA-N 2 2 377.463 4.391 40 0 GIABLP Fc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)CC1=Cc2ccccc2OC1 ZINC000043277841 570627181 /nfs/dbraw/zinc/62/71/81/570627181.db2.gz KPEOEQAOGSJWFU-UHFFFAOYSA-N 2 2 377.463 4.391 40 0 GIABLP COc1ccc(OC)c(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992624 570869051 /nfs/dbraw/zinc/86/90/51/570869051.db2.gz PGWPFKOVQLSDOE-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(OC)c(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000013992624 570869052 /nfs/dbraw/zinc/86/90/52/570869052.db2.gz PGWPFKOVQLSDOE-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CC[NH+](CC)CCC[C@H](C)Nc1cc(OC)c2[nH+]c(C)cc(OC)c2c1OC ZINC000002028734 212261651 /nfs/dbraw/zinc/26/16/51/212261651.db2.gz KIQWWLHFEKTYBR-HNNXBMFYSA-N 2 2 389.540 4.491 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379227 222244527 /nfs/dbraw/zinc/24/45/27/222244527.db2.gz SWWYWEPPNYBDDV-GOSISDBHSA-N 2 2 394.494 4.227 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)n1 ZINC000072379227 222244531 /nfs/dbraw/zinc/24/45/31/222244531.db2.gz SWWYWEPPNYBDDV-GOSISDBHSA-N 2 2 394.494 4.227 40 0 GIABLP CNc1cc([C@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCCCC2)cc[nH+]1 ZINC000257238957 570767462 /nfs/dbraw/zinc/76/74/62/570767462.db2.gz HNFXFGFRAWQSEZ-OAQYLSRUSA-N 2 2 378.520 4.087 40 0 GIABLP COc1ccc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740492 570569355 /nfs/dbraw/zinc/56/93/55/570569355.db2.gz WFJNBKYKCRMOFA-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1ccc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000036740492 570569360 /nfs/dbraw/zinc/56/93/60/570569360.db2.gz WFJNBKYKCRMOFA-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2c[nH]nc2-c2ccccc2)o1 ZINC000043277762 570626990 /nfs/dbraw/zinc/62/69/90/570626990.db2.gz WCWPUSZOOLTERK-UHFFFAOYSA-N 2 2 375.476 4.267 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2c[nH]nc2-c2ccccc2)o1 ZINC000043277762 570626996 /nfs/dbraw/zinc/62/69/96/570626996.db2.gz WCWPUSZOOLTERK-UHFFFAOYSA-N 2 2 375.476 4.267 40 0 GIABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000043277821 570627304 /nfs/dbraw/zinc/62/73/04/570627304.db2.gz UQXVTKPQHHVNRA-LJQANCHMSA-N 2 2 391.515 4.308 40 0 GIABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000043277821 570627306 /nfs/dbraw/zinc/62/73/06/570627306.db2.gz UQXVTKPQHHVNRA-LJQANCHMSA-N 2 2 391.515 4.308 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](CCN3CCCC3=O)C2)[nH+]1 ZINC000257208098 570761035 /nfs/dbraw/zinc/76/10/35/570761035.db2.gz BKTIAXAUVAIAEP-GOSISDBHSA-N 2 2 396.510 4.075 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](CCN3CCCC3=O)C2)[nH+]1 ZINC000257208098 570761042 /nfs/dbraw/zinc/76/10/42/570761042.db2.gz BKTIAXAUVAIAEP-GOSISDBHSA-N 2 2 396.510 4.075 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136525 570942696 /nfs/dbraw/zinc/94/26/96/570942696.db2.gz PVZCCAZHIHVDPR-MOPGFXCFSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136525 570942702 /nfs/dbraw/zinc/94/27/02/570942702.db2.gz PVZCCAZHIHVDPR-MOPGFXCFSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccccc1-c1ccc(C[NH+]2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497385 570990113 /nfs/dbraw/zinc/99/01/13/570990113.db2.gz VCPMNXIKEUVYHL-BGYRXZFFSA-N 2 2 394.559 4.436 40 0 GIABLP COc1ccccc1-c1ccc(C[NH+]2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497385 570990115 /nfs/dbraw/zinc/99/01/15/570990115.db2.gz VCPMNXIKEUVYHL-BGYRXZFFSA-N 2 2 394.559 4.436 40 0 GIABLP COc1cc(C)c(C[N@@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019566950 571008185 /nfs/dbraw/zinc/00/81/85/571008185.db2.gz BVBVSGRSPOITHB-JOCHJYFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[N@H+]2CCc3nc([C@H]4CCCC[NH+]4C)ncc3C2)c(C)c1C ZINC000019566950 571008189 /nfs/dbraw/zinc/00/81/89/571008189.db2.gz BVBVSGRSPOITHB-JOCHJYFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[NH+]2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c(C)c1C ZINC000019566950 571008192 /nfs/dbraw/zinc/00/81/92/571008192.db2.gz BVBVSGRSPOITHB-JOCHJYFZSA-N 2 2 394.563 4.126 40 0 GIABLP COc1cc(C)c(C[NH+]2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c(C)c1C ZINC000019566950 571008195 /nfs/dbraw/zinc/00/81/95/571008195.db2.gz BVBVSGRSPOITHB-JOCHJYFZSA-N 2 2 394.563 4.126 40 0 GIABLP CCOc1cc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992630 221295607 /nfs/dbraw/zinc/29/56/07/221295607.db2.gz VXHNWIKREQZVPS-UHFFFAOYSA-N 2 2 397.563 4.497 40 0 GIABLP CCOc1cc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1O ZINC000013992630 221295609 /nfs/dbraw/zinc/29/56/09/221295609.db2.gz VXHNWIKREQZVPS-UHFFFAOYSA-N 2 2 397.563 4.497 40 0 GIABLP Cc1sc2[nH]c([C@H](C)[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)nc(=O)c2c1C ZINC000023873326 570333669 /nfs/dbraw/zinc/33/36/69/570333669.db2.gz OPNKHZPGILHODS-KBPBESRZSA-N 2 2 393.516 4.199 40 0 GIABLP C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000038753807 570581787 /nfs/dbraw/zinc/58/17/87/570581787.db2.gz HCAUKQUHKVFOQZ-LJQANCHMSA-N 2 2 388.515 4.034 40 0 GIABLP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000038753807 570581793 /nfs/dbraw/zinc/58/17/93/570581793.db2.gz HCAUKQUHKVFOQZ-LJQANCHMSA-N 2 2 388.515 4.034 40 0 GIABLP COc1ccc(C[N@@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378691 222244873 /nfs/dbraw/zinc/24/48/73/222244873.db2.gz MOVYXBMSJSYPMJ-FQEVSTJZSA-N 2 2 377.492 4.131 40 0 GIABLP COc1ccc(C[N@H+]2CCC[C@H]2c2cncc(-n3cc[nH+]c3C(C)C)n2)cc1 ZINC000072378691 222244877 /nfs/dbraw/zinc/24/48/77/222244877.db2.gz MOVYXBMSJSYPMJ-FQEVSTJZSA-N 2 2 377.492 4.131 40 0 GIABLP COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH+]c2c1 ZINC000035446818 560079249 /nfs/dbraw/zinc/07/92/49/560079249.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 2 2 391.393 4.460 40 0 biogenic,in-vitro GIABLP COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH+]c2c1 ZINC000035446818 560079250 /nfs/dbraw/zinc/07/92/50/560079250.db2.gz CDRJTOZNLOESDJ-AWEZNQCLSA-N 2 2 391.393 4.460 40 0 biogenic,in-vitro GIABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000022075223 570321584 /nfs/dbraw/zinc/32/15/84/570321584.db2.gz FHEROJKPWBCFSN-QGZVFWFLSA-N 2 2 398.934 4.132 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125555 570936898 /nfs/dbraw/zinc/93/68/98/570936898.db2.gz CTTOWBRNCXUOFD-OALUTQOASA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4cccc(F)c4)C[C@@H]2C3)cc1 ZINC000306125555 570936901 /nfs/dbraw/zinc/93/69/01/570936901.db2.gz CTTOWBRNCXUOFD-OALUTQOASA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136527 570942583 /nfs/dbraw/zinc/94/25/83/570942583.db2.gz PVZCCAZHIHVDPR-RBUKOAKNSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@@H]2C3)cc1 ZINC000306136527 570942586 /nfs/dbraw/zinc/94/25/86/570942586.db2.gz PVZCCAZHIHVDPR-RBUKOAKNSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccccc1C[N@H+](Cc1cnn(C)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186573 221164168 /nfs/dbraw/zinc/16/41/68/221164168.db2.gz OQNAXUXUBJFJKA-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccccc1C[N@@H+](Cc1cnn(C)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186573 221164172 /nfs/dbraw/zinc/16/41/72/221164172.db2.gz OQNAXUXUBJFJKA-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccccc1C[N@H+](Cc1cn(C)nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186575 221164356 /nfs/dbraw/zinc/16/43/56/221164356.db2.gz HYNXOXLRAOKXEL-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccccc1C[N@@H+](Cc1cn(C)nc1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012186575 221164358 /nfs/dbraw/zinc/16/43/58/221164358.db2.gz HYNXOXLRAOKXEL-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000030860478 221705077 /nfs/dbraw/zinc/70/50/77/221705077.db2.gz XHEJWBKZMRJKJL-IBGZPJMESA-N 2 2 388.515 4.034 40 0 GIABLP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)C1 ZINC000030860478 221705082 /nfs/dbraw/zinc/70/50/82/221705082.db2.gz XHEJWBKZMRJKJL-IBGZPJMESA-N 2 2 388.515 4.034 40 0 GIABLP CCc1[nH+]c2ccccc2n1CC(=O)N1CCCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC000057776056 222036105 /nfs/dbraw/zinc/03/61/05/222036105.db2.gz UWFOIQSTRPNWLQ-HXUWFJFHSA-N 2 2 396.579 4.102 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000072352028 222237472 /nfs/dbraw/zinc/23/74/72/222237472.db2.gz OLEXUAWVDRJHFW-QGZVFWFLSA-N 2 2 379.483 4.386 40 0 GIABLP Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCC[N@H+](Cc3ccnn3C)C2)[nH+]1 ZINC000072352028 222237473 /nfs/dbraw/zinc/23/74/73/222237473.db2.gz OLEXUAWVDRJHFW-QGZVFWFLSA-N 2 2 379.483 4.386 40 0 GIABLP CCc1[nH+]ccn1-c1nccnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000072350650 222238237 /nfs/dbraw/zinc/23/82/37/222238237.db2.gz KUYZVEIYZCYMCM-UHFFFAOYSA-N 2 2 375.520 4.037 40 0 GIABLP COc1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1O ZINC000036740546 570569252 /nfs/dbraw/zinc/56/92/52/570569252.db2.gz DNITVCSXIAOOID-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP COc1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1O ZINC000036740546 570569258 /nfs/dbraw/zinc/56/92/58/570569258.db2.gz DNITVCSXIAOOID-UHFFFAOYSA-N 2 2 383.536 4.107 40 0 GIABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(CCCCc2ccccc2)c(Cl)c1 ZINC000001716760 212254261 /nfs/dbraw/zinc/25/42/61/212254261.db2.gz QAXPODLPPYVWCB-UHFFFAOYSA-N 2 2 383.927 4.091 40 0 GIABLP CCn1c2ccccc2nc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000043277706 570626180 /nfs/dbraw/zinc/62/61/80/570626180.db2.gz FGJZEVOPDWNLDD-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP CCn1c2ccccc2nc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000043277706 570626182 /nfs/dbraw/zinc/62/61/82/570626182.db2.gz FGJZEVOPDWNLDD-UHFFFAOYSA-N 2 2 391.494 4.484 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cc[nH+]cc2)o1 ZINC000043277759 570626326 /nfs/dbraw/zinc/62/63/26/570626326.db2.gz NIFZQGSHQBWSBY-UHFFFAOYSA-N 3 2 375.476 4.063 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccn2-c2cc[nH+]cc2)o1 ZINC000043277759 570626332 /nfs/dbraw/zinc/62/63/32/570626332.db2.gz NIFZQGSHQBWSBY-UHFFFAOYSA-N 3 2 375.476 4.063 40 0 GIABLP COc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1c(C)nc2sccn12 ZINC000043277816 570626966 /nfs/dbraw/zinc/62/69/66/570626966.db2.gz CSEAFLOUMSFKJB-UHFFFAOYSA-N 2 2 395.532 4.002 40 0 GIABLP COc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1c(C)nc2sccn12 ZINC000043277816 570626968 /nfs/dbraw/zinc/62/69/68/570626968.db2.gz CSEAFLOUMSFKJB-UHFFFAOYSA-N 2 2 395.532 4.002 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccc(Cl)cc1)CC21CC[NH+](C)CC1 ZINC000306128405 570938155 /nfs/dbraw/zinc/93/81/55/570938155.db2.gz GZMWINPATKJSHD-UHFFFAOYSA-N 2 2 386.971 4.405 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccc(Cl)cc1)CC21CC[NH+](C)CC1 ZINC000306128405 570938159 /nfs/dbraw/zinc/93/81/59/570938159.db2.gz GZMWINPATKJSHD-UHFFFAOYSA-N 2 2 386.971 4.405 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1ccccn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306133478 570940893 /nfs/dbraw/zinc/94/08/93/570940893.db2.gz MMWBCJHILNSHDE-UHFFFAOYSA-N 2 2 395.595 4.173 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1ccccn1)CC21CC[NH+](CC(C)C)CC1 ZINC000306133478 570940898 /nfs/dbraw/zinc/94/08/98/570940898.db2.gz MMWBCJHILNSHDE-UHFFFAOYSA-N 2 2 395.595 4.173 40 0 GIABLP COc1ccccc1-c1ccc(C[NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019497386 570989972 /nfs/dbraw/zinc/98/99/72/570989972.db2.gz VCPMNXIKEUVYHL-PMACEKPBSA-N 2 2 394.559 4.436 40 0 GIABLP COc1cc(C[N@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992626 221295249 /nfs/dbraw/zinc/29/52/49/221295249.db2.gz XWEZMNKIVNPSNH-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1cc(C[N@@H+](Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992626 221295250 /nfs/dbraw/zinc/29/52/50/221295250.db2.gz XWEZMNKIVNPSNH-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379122 222245577 /nfs/dbraw/zinc/24/55/77/222245577.db2.gz KNBPVFLXYWMHFN-IBGZPJMESA-N 2 2 376.504 4.218 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(OC)cc3)C2)n1 ZINC000072379122 222245580 /nfs/dbraw/zinc/24/55/80/222245580.db2.gz KNBPVFLXYWMHFN-IBGZPJMESA-N 2 2 376.504 4.218 40 0 GIABLP C[C@H]1Cc2cc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)ccc2O1 ZINC000043277865 570626741 /nfs/dbraw/zinc/62/67/41/570626741.db2.gz IFWBOHUNBMDNKM-SFHVURJKSA-N 2 2 379.479 4.438 40 0 GIABLP C[C@H]1Cc2cc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3F)ccc2O1 ZINC000043277865 570626743 /nfs/dbraw/zinc/62/67/43/570626743.db2.gz IFWBOHUNBMDNKM-SFHVURJKSA-N 2 2 379.479 4.438 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cccnc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306131360 570939934 /nfs/dbraw/zinc/93/99/34/570939934.db2.gz KCKNRYLJDYRRJT-UHFFFAOYSA-N 2 2 395.595 4.173 40 0 GIABLP Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccnc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306131360 570939935 /nfs/dbraw/zinc/93/99/35/570939935.db2.gz KCKNRYLJDYRRJT-UHFFFAOYSA-N 2 2 395.595 4.173 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136528 570942905 /nfs/dbraw/zinc/94/29/05/570942905.db2.gz PVZCCAZHIHVDPR-RTBURBONSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccc(F)cc4)C[C@H]2C3)cc1 ZINC000306136528 570942908 /nfs/dbraw/zinc/94/29/08/570942908.db2.gz PVZCCAZHIHVDPR-RTBURBONSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(C[N@H+](Cc2cnn(C)c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186548 221163721 /nfs/dbraw/zinc/16/37/21/221163721.db2.gz QGTKZSGFAILGTD-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP COc1ccc(C[N@@H+](Cc2cnn(C)c2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000012186548 221163724 /nfs/dbraw/zinc/16/37/24/221163724.db2.gz QGTKZSGFAILGTD-UHFFFAOYSA-N 2 2 384.568 4.049 40 0 GIABLP Cc1cc2c(cc1C[N@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000013992730 221295331 /nfs/dbraw/zinc/29/53/31/221295331.db2.gz OPDIOFNMINXHHX-UHFFFAOYSA-N 2 2 395.547 4.430 40 0 GIABLP Cc1cc2c(cc1C[N@@H+](Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000013992730 221295334 /nfs/dbraw/zinc/29/53/34/221295334.db2.gz OPDIOFNMINXHHX-UHFFFAOYSA-N 2 2 395.547 4.430 40 0 GIABLP COC(=O)c1ccc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992685 221296110 /nfs/dbraw/zinc/29/61/10/221296110.db2.gz KFKLHUYTJGCNPN-UHFFFAOYSA-N 2 2 395.547 4.180 40 0 GIABLP COC(=O)c1ccc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000013992685 221296112 /nfs/dbraw/zinc/29/61/12/221296112.db2.gz KFKLHUYTJGCNPN-UHFFFAOYSA-N 2 2 395.547 4.180 40 0 GIABLP COc1cc(C[N@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992691 221296291 /nfs/dbraw/zinc/29/62/91/221296291.db2.gz BBZHTYNBVJYRPZ-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP COc1cc(C[N@@H+](Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1 ZINC000013992691 221296295 /nfs/dbraw/zinc/29/62/95/221296295.db2.gz BBZHTYNBVJYRPZ-UHFFFAOYSA-N 2 2 397.563 4.410 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379223 222245301 /nfs/dbraw/zinc/24/53/01/222245301.db2.gz LAIIGWLQTUBAQA-FQEVSTJZSA-N 2 2 380.467 4.185 40 0 GIABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CCOc2ccc(F)cc2)n1 ZINC000072379223 222245304 /nfs/dbraw/zinc/24/53/04/222245304.db2.gz LAIIGWLQTUBAQA-FQEVSTJZSA-N 2 2 380.467 4.185 40 0 GIABLP Cc1cccc(CNc2cc(-c3ccccc3)[nH+]c(NCCC[NH+](C)C)n2)c1 ZINC000242934680 570457103 /nfs/dbraw/zinc/45/71/03/570457103.db2.gz GZXILTJWWAHPEA-UHFFFAOYSA-N 2 2 375.520 4.428 40 0 GIABLP CC1(C)CC([N@H+](Cc2ccc3c(c2)CCO3)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740511 570569535 /nfs/dbraw/zinc/56/95/35/570569535.db2.gz ZPLUWGDDMAAGON-UHFFFAOYSA-N 2 2 379.548 4.328 40 0 GIABLP CC1(C)CC([N@@H+](Cc2ccc3c(c2)CCO3)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740511 570569536 /nfs/dbraw/zinc/56/95/36/570569536.db2.gz ZPLUWGDDMAAGON-UHFFFAOYSA-N 2 2 379.548 4.328 40 0 GIABLP Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000043277770 570626730 /nfs/dbraw/zinc/62/67/30/570626730.db2.gz RFPVGZLEGGICHS-UHFFFAOYSA-N 2 2 393.466 4.202 40 0 GIABLP Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnn(-c3ccc(F)cc3)c2)o1 ZINC000043277770 570626732 /nfs/dbraw/zinc/62/67/32/570626732.db2.gz RFPVGZLEGGICHS-UHFFFAOYSA-N 2 2 393.466 4.202 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125557 570936945 /nfs/dbraw/zinc/93/69/45/570936945.db2.gz CTTOWBRNCXUOFD-RTBURBONSA-N 2 2 377.463 4.002 40 0 GIABLP COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4cccc(F)c4)C[C@H]2C3)cc1 ZINC000306125557 570936946 /nfs/dbraw/zinc/93/69/46/570936946.db2.gz CTTOWBRNCXUOFD-RTBURBONSA-N 2 2 377.463 4.002 40 0 GIABLP Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1ccoc1)CC21CC[NH+](CC(C)C)CC1 ZINC000306128434 570938143 /nfs/dbraw/zinc/93/81/43/570938143.db2.gz HAEJJGRSRHIESR-UHFFFAOYSA-N 2 2 398.551 4.011 40 0 GIABLP