smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261958161 526347093 /nfs/dbraw/zinc/34/70/93/526347093.db2.gz JIQMBAVOOAJTAI-CHWSQXEVSA-N 1 3 311.474 0.795 10 30 DCEEHO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261953210 526382025 /nfs/dbraw/zinc/38/20/25/526382025.db2.gz HYIAPVUZMWSTGM-DGCLKSJQSA-N 1 3 321.425 0.772 10 30 DCEEHO C[NH+]=C(NC1CCC1)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000262752252 526344018 /nfs/dbraw/zinc/34/40/18/526344018.db2.gz AAAHRNNMYJPYOI-UHFFFAOYSA-N 1 3 309.458 0.647 10 30 DCEEHO C=CCN1CCC(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417537309 397373534 /nfs/dbraw/zinc/37/35/34/397373534.db2.gz ZFPMRTLDPFMBNZ-LBPRGKRZSA-N 1 3 302.369 0.933 10 30 DCEEHO C=CCNC(=O)NC(=O)CN1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900363 396679293 /nfs/dbraw/zinc/67/92/93/396679293.db2.gz DDIRRECXPJSLCC-CQSZACIVSA-N 1 3 308.426 0.710 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627386304 417387794 /nfs/dbraw/zinc/38/77/94/417387794.db2.gz LKMKFODYAGEFOF-JSGCOSHPSA-N 1 3 308.426 0.010 10 30 DCEEHO CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262475684 276096001 /nfs/dbraw/zinc/09/60/01/276096001.db2.gz QBOJPRZTNFTEOJ-HNNXBMFYSA-N 1 3 320.441 0.590 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000419726092 416406305 /nfs/dbraw/zinc/40/63/05/416406305.db2.gz JKBLUJIOTQRAPG-OAHLLOKOSA-N 1 3 322.453 0.401 10 30 DCEEHO C[NH+]=C(NCc1nnc(C)n1C)NC1C[C@H]2CCC[C@@H](C1)N2C ZINC000261979665 526392092 /nfs/dbraw/zinc/39/20/92/526392092.db2.gz ONVYJPRLSDCCGJ-AGUYFDCRSA-N 1 3 319.457 0.804 10 30 DCEEHO CNC(=O)C(C)(C)CNC(N[C@@H]1CCN(C2CCCC2)C1)=[NH+]C ZINC000153894170 526412942 /nfs/dbraw/zinc/41/29/42/526412942.db2.gz JHQKQDNNRBJRLN-CYBMUJFWSA-N 1 3 323.485 0.941 10 30 DCEEHO C[C@H]1CCCCN1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303904152 685208689 /nfs/dbraw/zinc/20/86/89/685208689.db2.gz UTNVGKBZCGHWES-HNNXBMFYSA-N 1 3 311.474 0.487 10 30 DCEEHO CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262475685 276096096 /nfs/dbraw/zinc/09/60/96/276096096.db2.gz QBOJPRZTNFTEOJ-OAHLLOKOSA-N 1 3 320.441 0.590 10 30 DCEEHO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000248859160 277320482 /nfs/dbraw/zinc/32/04/82/277320482.db2.gz FNSRSGVCTRACGX-UONOGXRCSA-N 1 3 311.474 0.747 10 30 DCEEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000330181699 336121685 /nfs/dbraw/zinc/12/16/85/336121685.db2.gz GUFPRTJHQNGUAK-RRCSTGOVSA-N 1 3 324.469 0.770 10 30 DCEEHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330181699 336121686 /nfs/dbraw/zinc/12/16/86/336121686.db2.gz GUFPRTJHQNGUAK-RRCSTGOVSA-N 1 3 324.469 0.770 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419691798 337491473 /nfs/dbraw/zinc/49/14/73/337491473.db2.gz AJHQLVWVSTWERB-DZGCQCFKSA-N 1 3 322.453 0.257 10 30 DCEEHO C=C(C)CN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC000581661951 396572739 /nfs/dbraw/zinc/57/27/39/396572739.db2.gz LCMVRRMYVKYKNB-QGZVFWFLSA-N 1 3 310.486 0.225 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627386306 417387721 /nfs/dbraw/zinc/38/77/21/417387721.db2.gz LKMKFODYAGEFOF-TZMCWYRMSA-N 1 3 308.426 0.010 10 30 DCEEHO C=CCN1CC[C@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000530243377 417557779 /nfs/dbraw/zinc/55/77/79/417557779.db2.gz XRJKUFHERZIHBW-CVEARBPZSA-N 1 3 307.438 0.864 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245693451 526345450 /nfs/dbraw/zinc/34/54/50/526345450.db2.gz WMPMRKVRQVTIEC-UONOGXRCSA-N 1 3 309.458 0.503 10 30 DCEEHO C[NH+]=C(NCc1ccc(C(N)=O)o1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261953211 526382114 /nfs/dbraw/zinc/38/21/14/526382114.db2.gz HYIAPVUZMWSTGM-WCQYABFASA-N 1 3 321.425 0.772 10 30 DCEEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)CN1C1CC1 ZINC000330202821 336123750 /nfs/dbraw/zinc/12/37/50/336123750.db2.gz ZVBBFCTVYGNFDW-IXYNUQLISA-N 1 3 324.469 0.913 10 30 DCEEHO C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)CN1C1CC1 ZINC000330202821 336123751 /nfs/dbraw/zinc/12/37/51/336123751.db2.gz ZVBBFCTVYGNFDW-IXYNUQLISA-N 1 3 324.469 0.913 10 30 DCEEHO C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000158409229 526365790 /nfs/dbraw/zinc/36/57/90/526365790.db2.gz OFBSGAWJOKHNON-WCQYABFASA-N 1 3 308.430 0.814 10 30 DCEEHO CC(C)[NH+]=C(NCC(=O)N(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000248859163 527383391 /nfs/dbraw/zinc/38/33/91/527383391.db2.gz FNSRSGVCTRACGX-ZIAGYGMSSA-N 1 3 311.474 0.747 10 30 DCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc2ccnn21 ZINC000262289450 529074840 /nfs/dbraw/zinc/07/48/40/529074840.db2.gz GNYABFJLONCFME-GFCCVEGCSA-N 1 3 301.398 0.618 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CCCCN1CC(C)C)N[C@H]1CCC(=O)NC1 ZINC000261704794 526369051 /nfs/dbraw/zinc/36/90/51/526369051.db2.gz JNTRADCRNJGCCW-GJZGRUSLSA-N 1 3 323.485 0.941 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262753110 526345290 /nfs/dbraw/zinc/34/52/90/526345290.db2.gz GZCGXWBQQMQFNQ-AWEZNQCLSA-N 1 3 321.469 0.791 10 30 DCEEHO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261955193 526392529 /nfs/dbraw/zinc/39/25/29/526392529.db2.gz INXSJKWQPQXTCW-DGCLKSJQSA-N 1 3 307.446 0.517 10 30 DCEEHO C=CCN1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262405482 526444815 /nfs/dbraw/zinc/44/48/15/526444815.db2.gz YWZAMIZKHHBGTO-CVEARBPZSA-N 1 3 317.437 0.490 10 30 DCEEHO C[C@@H]1CN(C(=[NH2+])NCC2(N3CCCC3)CCOCC2)CCO1 ZINC000262444948 534271905 /nfs/dbraw/zinc/27/19/05/534271905.db2.gz IMLVBPVWSMCFEG-CQSZACIVSA-N 1 3 310.442 0.667 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245610213 526346368 /nfs/dbraw/zinc/34/63/68/526346368.db2.gz LDKVEDNGRRPUTF-HUUCEWRRSA-N 1 3 323.485 0.893 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(C[C@H]2CCOC2)CC1 ZINC000245628971 526369987 /nfs/dbraw/zinc/36/99/87/526369987.db2.gz CXKPOTIJIROOLS-CVEARBPZSA-N 1 3 323.485 0.310 10 30 DCEEHO CCN1CCC[C@@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C ZINC000261999463 529059686 /nfs/dbraw/zinc/05/96/86/529059686.db2.gz TYSXXAQPZSQWFO-CYBMUJFWSA-N 1 3 307.446 0.615 10 30 DCEEHO C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262814477 526372613 /nfs/dbraw/zinc/37/26/13/526372613.db2.gz ROHFTQHRKYHRAR-UKRRQHHQSA-N 1 3 310.442 0.584 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@@H](N2CCCCC2)C1 ZINC000262421775 662377694 /nfs/dbraw/zinc/37/76/94/662377694.db2.gz BGBSXFMGFGVZKO-HZPDHXFCSA-N 1 3 323.485 0.453 10 30 DCEEHO C[NH+]=C(NCCNC(C)(C)C)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261853226 526360620 /nfs/dbraw/zinc/36/06/20/526360620.db2.gz YGQGTMHYKMOPNP-AWEZNQCLSA-N 1 3 322.457 0.757 10 30 DCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303771043 685206216 /nfs/dbraw/zinc/20/62/16/685206216.db2.gz CGRZIZGZVDSURX-LBPRGKRZSA-N 1 3 307.398 0.284 10 30 DCEEHO C=CCN1CCC(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417537308 334957105 /nfs/dbraw/zinc/95/71/05/334957105.db2.gz ZFPMRTLDPFMBNZ-GFCCVEGCSA-N 1 3 302.369 0.933 10 30 DCEEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)CN1C1CC1 ZINC000330202820 336123893 /nfs/dbraw/zinc/12/38/93/336123893.db2.gz ZVBBFCTVYGNFDW-HGTKMLMNSA-N 1 3 324.469 0.913 10 30 DCEEHO C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)CN1C1CC1 ZINC000330202820 336123894 /nfs/dbraw/zinc/12/38/94/336123894.db2.gz ZVBBFCTVYGNFDW-HGTKMLMNSA-N 1 3 324.469 0.913 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179084902 526369883 /nfs/dbraw/zinc/36/98/83/526369883.db2.gz CXKPOTIJIROOLS-HOTGVXAUSA-N 1 3 323.485 0.310 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261993701 526373302 /nfs/dbraw/zinc/37/33/02/526373302.db2.gz RXJMNXNGJHQZTO-BZUAXINKSA-N 1 3 324.517 0.126 10 30 DCEEHO C[C@@H]1CCCCN1CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303904153 685208572 /nfs/dbraw/zinc/20/85/72/685208572.db2.gz UTNVGKBZCGHWES-OAHLLOKOSA-N 1 3 311.474 0.487 10 30 DCEEHO C=CCN1CC[C@@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000530243383 340783539 /nfs/dbraw/zinc/78/35/39/340783539.db2.gz XRJKUFHERZIHBW-JKSUJKDBSA-N 1 3 307.438 0.864 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627386305 417387767 /nfs/dbraw/zinc/38/77/67/417387767.db2.gz LKMKFODYAGEFOF-OCCSQVGLSA-N 1 3 308.426 0.010 10 30 DCEEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000330181698 336121476 /nfs/dbraw/zinc/12/14/76/336121476.db2.gz GUFPRTJHQNGUAK-LUYZLQTOSA-N 1 3 324.469 0.770 10 30 DCEEHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000330181698 336121478 /nfs/dbraw/zinc/12/14/78/336121478.db2.gz GUFPRTJHQNGUAK-LUYZLQTOSA-N 1 3 324.469 0.770 10 30 DCEEHO C[NH+]=C(NCCn1cncn1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262922720 526368796 /nfs/dbraw/zinc/36/87/96/526368796.db2.gz LBZDGLSQWXXVEZ-ZDUSSCGKSA-N 1 3 305.430 0.460 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627386164 417388397 /nfs/dbraw/zinc/38/83/97/417388397.db2.gz HVWUUYGETMOWIT-AWEZNQCLSA-N 1 3 320.437 0.154 10 30 DCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1ccnc2ccnn21 ZINC000262289453 529101275 /nfs/dbraw/zinc/10/12/75/529101275.db2.gz GNYABFJLONCFME-LBPRGKRZSA-N 1 3 301.398 0.618 10 30 DCEEHO CNC(=O)C(C)(C)CNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]C ZINC000261983357 661941713 /nfs/dbraw/zinc/94/17/13/661941713.db2.gz PJWIZBYOELWAMA-CHWSQXEVSA-N 1 3 311.474 0.652 10 30 DCEEHO CCn1cnnc1CNC(N[C@@H]1CN(C(C)C)C[C@H]1C)=[NH+]C ZINC000262010040 238169682 /nfs/dbraw/zinc/16/96/82/238169682.db2.gz WKDXQGOHNFYHPH-CHWSQXEVSA-N 1 3 307.446 0.692 10 30 DCEEHO C=CCNC(=O)NC(=O)[C@@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602876630 397509194 /nfs/dbraw/zinc/50/91/94/397509194.db2.gz HPDHTWHBTLXFFX-CYBMUJFWSA-N 1 3 308.426 0.804 10 30 DCEEHO C[NH+]=C(NCC(=O)NC1CC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262733207 526347362 /nfs/dbraw/zinc/34/73/62/526347362.db2.gz BEAMPKXXOBMGQG-ZDUSSCGKSA-N 1 3 307.442 0.447 10 30 DCEEHO C=CC[C@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183315408 527194914 /nfs/dbraw/zinc/19/49/14/527194914.db2.gz UXZUNKXDDOENQC-OAHLLOKOSA-N 1 3 324.469 0.781 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000419726091 239934110 /nfs/dbraw/zinc/93/41/10/239934110.db2.gz JKBLUJIOTQRAPG-HNNXBMFYSA-N 1 3 322.453 0.401 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261986496 526372523 /nfs/dbraw/zinc/37/25/23/526372523.db2.gz QEYASFJJKGQEEW-RBSFLKMASA-N 1 3 311.474 0.211 10 30 DCEEHO C[NH+]=C(NCCNC(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261845778 275732961 /nfs/dbraw/zinc/73/29/61/275732961.db2.gz XGXSAELAVLCMCZ-MRXNPFEDSA-N 1 3 309.458 0.552 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCN1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261993699 526373027 /nfs/dbraw/zinc/37/30/27/526373027.db2.gz RXJMNXNGJHQZTO-ARFHVFGLSA-N 1 3 324.517 0.126 10 30 DCEEHO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261655976 528812799 /nfs/dbraw/zinc/81/27/99/528812799.db2.gz ADLFBDOBAZXANA-RBSFLKMASA-N 1 3 312.458 0.686 10 30 DCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303868776 685206944 /nfs/dbraw/zinc/20/69/44/685206944.db2.gz DNFNEFPDSLDURH-CQSZACIVSA-N 1 3 306.458 0.968 10 30 DCEEHO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261990726 526392225 /nfs/dbraw/zinc/39/22/25/526392225.db2.gz RDUIKYDLKGNTDP-QWHCGFSZSA-N 1 3 319.457 0.618 10 30 DCEEHO C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1CCN(C2CCCC2)C1 ZINC000261951597 526392327 /nfs/dbraw/zinc/39/23/27/526392327.db2.gz HOJUECSLMUTNHB-ZDUSSCGKSA-N 1 3 319.457 0.805 10 30 DCEEHO C=CCN1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000358819502 526432322 /nfs/dbraw/zinc/43/23/22/526432322.db2.gz QLVBDAKDNNKBAM-UHFFFAOYSA-N 1 3 303.410 0.865 10 30 DCEEHO C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262733204 526347479 /nfs/dbraw/zinc/34/74/79/526347479.db2.gz BEAMPKXXOBMGQG-CYBMUJFWSA-N 1 3 307.442 0.447 10 30 DCEEHO C[NH+]=C(NCCNC(C)(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261656830 526361276 /nfs/dbraw/zinc/36/12/76/526361276.db2.gz AFIFJHAFJIUUAV-UHFFFAOYSA-N 1 3 318.487 0.459 10 30 DCEEHO C[NH+]=C(NC[C@H](O)C(F)(F)F)NC1CCN(C2CC2)CC1 ZINC000262813200 276843541 /nfs/dbraw/zinc/84/35/41/276843541.db2.gz VUZCICUOQBBORN-NSHDSACASA-N 1 3 308.348 0.701 10 30 DCEEHO C[NH+]=C(NCC(C)(C)CN(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261670503 526348992 /nfs/dbraw/zinc/34/89/92/526348992.db2.gz BYVPQJOMYWSJBP-QGZVFWFLSA-N 1 3 323.485 0.752 10 30 DCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303868773 685207431 /nfs/dbraw/zinc/20/74/31/685207431.db2.gz DNFNEFPDSLDURH-AWEZNQCLSA-N 1 3 306.458 0.968 10 30 DCEEHO C=CCNC(=O)NC(=O)CN1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900362 396679513 /nfs/dbraw/zinc/67/95/13/396679513.db2.gz DDIRRECXPJSLCC-AWEZNQCLSA-N 1 3 308.426 0.710 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419691802 416405247 /nfs/dbraw/zinc/40/52/47/416405247.db2.gz AJHQLVWVSTWERB-UKRRQHHQSA-N 1 3 322.453 0.257 10 30 DCEEHO CCN1CCC[C@H]1CN(C)C(NCc1nnc(C)n1C)=[NH+]C ZINC000261999466 529092513 /nfs/dbraw/zinc/09/25/13/529092513.db2.gz TYSXXAQPZSQWFO-ZDUSSCGKSA-N 1 3 307.446 0.615 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627385931 417387045 /nfs/dbraw/zinc/38/70/45/417387045.db2.gz AGUYYTCFLZYVSA-UKRRQHHQSA-N 1 3 322.453 0.400 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627386165 417387460 /nfs/dbraw/zinc/38/74/60/417387460.db2.gz HVWUUYGETMOWIT-CQSZACIVSA-N 1 3 320.437 0.154 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627386303 417388523 /nfs/dbraw/zinc/38/85/23/417388523.db2.gz LKMKFODYAGEFOF-GXTWGEPZSA-N 1 3 308.426 0.010 10 30 DCEEHO C[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H](N2CCOCC2)C1 ZINC000262458308 526381293 /nfs/dbraw/zinc/38/12/93/526381293.db2.gz LSFGQVRGAXBCHW-AWEZNQCLSA-N 1 3 306.414 0.200 10 30 DCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1 ZINC000262514432 529072836 /nfs/dbraw/zinc/07/28/36/529072836.db2.gz FNZNDGGAIIQEGK-ZIAGYGMSSA-N 1 3 319.457 0.538 10 30 DCEEHO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261976724 661938936 /nfs/dbraw/zinc/93/89/36/661938936.db2.gz NWLNZFACQQQYNR-GZBFAFLISA-N 1 3 314.499 0.748 10 30 DCEEHO C=CCN1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000171740249 526433593 /nfs/dbraw/zinc/43/35/93/526433593.db2.gz ANNNCFQKTSDMFU-MRXNPFEDSA-N 1 3 324.469 0.783 10 30 DCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262514429 529075162 /nfs/dbraw/zinc/07/51/62/529075162.db2.gz FNZNDGGAIIQEGK-UONOGXRCSA-N 1 3 319.457 0.538 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCCC1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000245610217 685157983 /nfs/dbraw/zinc/15/79/83/685157983.db2.gz LDKVEDNGRRPUTF-LSDHHAIUSA-N 1 3 323.485 0.893 10 30 DCEEHO C=CCN1CC[C@H](N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000530243379 417557821 /nfs/dbraw/zinc/55/78/21/417557821.db2.gz XRJKUFHERZIHBW-HOTGVXAUSA-N 1 3 307.438 0.864 10 30 DCEEHO C[NH+]=C(NCC(=O)NC(C)(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261958167 526347076 /nfs/dbraw/zinc/34/70/76/526347076.db2.gz JIQMBAVOOAJTAI-QWHCGFSZSA-N 1 3 311.474 0.795 10 30 DCEEHO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262835376 528813299 /nfs/dbraw/zinc/81/32/99/528813299.db2.gz WECGLXKJDNOLDQ-GDBMZVCRSA-N 1 3 324.469 0.974 10 30 DCEEHO CCN1CCC[C@@H]1CN(C)C(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262343854 285232845 /nfs/dbraw/zinc/23/28/45/285232845.db2.gz DAMHTRXIXMGESP-HIFRSBDPSA-N 1 3 314.499 0.846 10 30 DCEEHO CN1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329809963 336084653 /nfs/dbraw/zinc/08/46/53/336084653.db2.gz QKTIPCTUQZMTGA-GOOCMWNKSA-N 1 3 324.469 0.962 10 30 DCEEHO CN1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329809963 336084655 /nfs/dbraw/zinc/08/46/55/336084655.db2.gz QKTIPCTUQZMTGA-GOOCMWNKSA-N 1 3 324.469 0.962 10 30 DCEEHO C[C@H]1CN(C(=[NH2+])NCC2(N3CCCC3)CCOCC2)CCO1 ZINC000262444946 533791411 /nfs/dbraw/zinc/79/14/11/533791411.db2.gz IMLVBPVWSMCFEG-AWEZNQCLSA-N 1 3 310.442 0.667 10 30 DCEEHO C[NH+]=C(NCCc1nc(C)no1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261978256 526365917 /nfs/dbraw/zinc/36/59/17/526365917.db2.gz OFBSGAWJOKHNON-DGCLKSJQSA-N 1 3 308.430 0.814 10 30 DCEEHO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261965004 526376280 /nfs/dbraw/zinc/37/62/80/526376280.db2.gz LENGDZJUXMWPCX-AXFHLTTASA-N 1 3 310.364 0.803 10 30 DCEEHO C[NH+]=C(NC[C@]1(O)CCSC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261976729 657862231 /nfs/dbraw/zinc/86/22/31/657862231.db2.gz NWLNZFACQQQYNR-UMVBOHGHSA-N 1 3 314.499 0.748 10 30 DCEEHO CC[NH+]=C(NCCNC(C)(C)C)N1CCC[C@@]2(CNC(=O)C2)C1 ZINC000261681413 275802195 /nfs/dbraw/zinc/80/21/95/275802195.db2.gz DEDAIMIMYYYEAV-QGZVFWFLSA-N 1 3 323.485 0.942 10 30 DCEEHO C[NH+]=C(NCC(C)(C)CN(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261670502 526348124 /nfs/dbraw/zinc/34/81/24/526348124.db2.gz BYVPQJOMYWSJBP-KRWDZBQOSA-N 1 3 323.485 0.752 10 30 DCEEHO C=CC[C@@H](CO)NC(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000183315390 527088462 /nfs/dbraw/zinc/08/84/62/527088462.db2.gz UXZUNKXDDOENQC-HNNXBMFYSA-N 1 3 324.469 0.781 10 30 DCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCc2nnc(C)n2C1 ZINC000262514423 529100595 /nfs/dbraw/zinc/10/05/95/529100595.db2.gz FNZNDGGAIIQEGK-KBPBESRZSA-N 1 3 319.457 0.538 10 30 DCEEHO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(N2CCCC2)CCOCC1 ZINC000262430260 238173585 /nfs/dbraw/zinc/17/35/85/238173585.db2.gz SVGYMZPRFGLGIE-AWEZNQCLSA-N 1 3 310.442 0.715 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CCCCN1CC(C)C)N[C@@H]1CCC(=O)NC1 ZINC000261704792 526369329 /nfs/dbraw/zinc/36/93/29/526369329.db2.gz JNTRADCRNJGCCW-CABCVRRESA-N 1 3 323.485 0.941 10 30 DCEEHO C=C(C)CN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC000581661950 396572822 /nfs/dbraw/zinc/57/28/22/396572822.db2.gz LCMVRRMYVKYKNB-KRWDZBQOSA-N 1 3 310.486 0.225 10 30 DCEEHO C=CCn1cc(C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)nn1 ZINC000617502401 396741358 /nfs/dbraw/zinc/74/13/58/396741358.db2.gz OAHLFAJSTSBGCK-ZDUSSCGKSA-N 1 3 308.430 0.466 10 30 DCEEHO C=CCn1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)nn1 ZINC000617502401 396741361 /nfs/dbraw/zinc/74/13/61/396741361.db2.gz OAHLFAJSTSBGCK-ZDUSSCGKSA-N 1 3 308.430 0.466 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627385930 417388408 /nfs/dbraw/zinc/38/84/08/417388408.db2.gz AGUYYTCFLZYVSA-HIFRSBDPSA-N 1 3 322.453 0.400 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419691804 337491532 /nfs/dbraw/zinc/49/15/32/337491532.db2.gz AJHQLVWVSTWERB-ZFWWWQNUSA-N 1 3 322.453 0.257 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000529310012 340753022 /nfs/dbraw/zinc/75/30/22/340753022.db2.gz ZLULAEQNEBIGNT-UHFFFAOYSA-N 1 3 310.442 0.834 10 30 DCEEHO C[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261965006 526376448 /nfs/dbraw/zinc/37/64/48/526376448.db2.gz LENGDZJUXMWPCX-MXWKQRLJSA-N 1 3 310.364 0.803 10 30 DCEEHO CC(C)N1C[C@@H](C)[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C1 ZINC000262302239 657515495 /nfs/dbraw/zinc/51/54/95/657515495.db2.gz NYLZOKNMZGKARP-OCCSQVGLSA-N 1 3 309.458 0.501 10 30 DCEEHO CN1C[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773939 /nfs/dbraw/zinc/77/39/39/395773939.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 1 3 301.390 0.791 10 30 DCEEHO CN1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611939 395773942 /nfs/dbraw/zinc/77/39/42/395773942.db2.gz RDTWQEBIIZIZBG-OWCLPIDISA-N 1 3 301.390 0.791 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000553396847 341427846 /nfs/dbraw/zinc/42/78/46/341427846.db2.gz ILLSSHJARAWULD-UHFFFAOYSA-N 1 3 324.469 0.553 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262753112 526345405 /nfs/dbraw/zinc/34/54/05/526345405.db2.gz GZCGXWBQQMQFNQ-CQSZACIVSA-N 1 3 321.469 0.791 10 30 DCEEHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCc2nnc(C)n2C1 ZINC000262514426 529100656 /nfs/dbraw/zinc/10/06/56/529100656.db2.gz FNZNDGGAIIQEGK-KGLIPLIRSA-N 1 3 319.457 0.538 10 30 DCEEHO CCN1CCC[C@@H]1CN(C)C(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262343857 285232869 /nfs/dbraw/zinc/23/28/69/285232869.db2.gz DAMHTRXIXMGESP-UKRRQHHQSA-N 1 3 314.499 0.846 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261986497 526372695 /nfs/dbraw/zinc/37/26/95/526372695.db2.gz QEYASFJJKGQEEW-RRFJBIMHSA-N 1 3 311.474 0.211 10 30 DCEEHO C[NH+]=C(NCc1cn[nH]c1C)N1CC[C@@H](N2CCOCC2)C1 ZINC000262458310 526381542 /nfs/dbraw/zinc/38/15/42/526381542.db2.gz LSFGQVRGAXBCHW-CQSZACIVSA-N 1 3 306.414 0.200 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419691800 337491559 /nfs/dbraw/zinc/49/15/59/337491559.db2.gz AJHQLVWVSTWERB-HIFRSBDPSA-N 1 3 322.453 0.257 10 30 DCEEHO C=CCN1CC[C@@H](N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000530243381 340783570 /nfs/dbraw/zinc/78/35/70/340783570.db2.gz XRJKUFHERZIHBW-HZPDHXFCSA-N 1 3 307.438 0.864 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262753095 526373125 /nfs/dbraw/zinc/37/31/25/526373125.db2.gz GYSJHBWZBDAOIB-GDBMZVCRSA-N 1 3 323.485 0.499 10 30 DCEEHO C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262814472 526373520 /nfs/dbraw/zinc/37/35/20/526373520.db2.gz ROHFTQHRKYHRAR-DZGCQCFKSA-N 1 3 310.442 0.584 10 30 DCEEHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000303771042 685205857 /nfs/dbraw/zinc/20/58/57/685205857.db2.gz CGRZIZGZVDSURX-GFCCVEGCSA-N 1 3 307.398 0.284 10 30 DCEEHO CN1C[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773716 /nfs/dbraw/zinc/77/37/16/395773716.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 1 3 301.390 0.791 10 30 DCEEHO CN1C[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193611926 395773719 /nfs/dbraw/zinc/77/37/19/395773719.db2.gz RDTWQEBIIZIZBG-XHSDSOJGSA-N 1 3 301.390 0.791 10 30 DCEEHO C[NH+]=C(NC[C@@H]1CN(C)CCO1)N1CC[C@H](N2CCCCC2)C1 ZINC000262421779 662377805 /nfs/dbraw/zinc/37/78/05/662377805.db2.gz BGBSXFMGFGVZKO-JKSUJKDBSA-N 1 3 323.485 0.453 10 30 DCEEHO C[NH+]=C(NCCn1cncn1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262922717 526369351 /nfs/dbraw/zinc/36/93/51/526369351.db2.gz LBZDGLSQWXXVEZ-CYBMUJFWSA-N 1 3 305.430 0.460 10 30 DCEEHO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261955195 526392510 /nfs/dbraw/zinc/39/25/10/526392510.db2.gz INXSJKWQPQXTCW-WCQYABFASA-N 1 3 307.446 0.517 10 30 DCEEHO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1CCN(C2CCCC2)C1 ZINC000261951595 526392542 /nfs/dbraw/zinc/39/25/42/526392542.db2.gz HOJUECSLMUTNHB-CYBMUJFWSA-N 1 3 319.457 0.805 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000343765933 415717089 /nfs/dbraw/zinc/71/70/89/415717089.db2.gz OEOUIGYJJWJUIP-CQSZACIVSA-N 1 3 324.469 0.600 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627386150 417387446 /nfs/dbraw/zinc/38/74/46/417387446.db2.gz HDOAFZSILHSWPD-GXTWGEPZSA-N 1 3 308.426 0.010 10 30 DCEEHO CC[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C ZINC000261655980 528812480 /nfs/dbraw/zinc/81/24/80/528812480.db2.gz ADLFBDOBAZXANA-RRFJBIMHSA-N 1 3 312.458 0.686 10 30 DCEEHO CC(C)N1C[C@@H](C)[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CC2)C1 ZINC000262302243 657515298 /nfs/dbraw/zinc/51/52/98/657515298.db2.gz NYLZOKNMZGKARP-TZMCWYRMSA-N 1 3 309.458 0.501 10 30 DCEEHO CNC(=O)C(C)(C)CNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]C ZINC000261983358 661941820 /nfs/dbraw/zinc/94/18/20/661941820.db2.gz PJWIZBYOELWAMA-QWHCGFSZSA-N 1 3 311.474 0.652 10 30 DCEEHO CN1CCC(CNC(=[NH2+])N2CCOCC2)(N2CCCCC2)CC1 ZINC000262538488 530048367 /nfs/dbraw/zinc/04/83/67/530048367.db2.gz QQISKGDICPPNCN-UHFFFAOYSA-N 1 3 323.485 0.584 10 30 DCEEHO C=CCNC(=O)NC(=O)[C@H](C)N1CCC2(C1)CC[NH+](C)CC2 ZINC000602876631 397509019 /nfs/dbraw/zinc/50/90/19/397509019.db2.gz HPDHTWHBTLXFFX-ZDUSSCGKSA-N 1 3 308.426 0.804 10 30 DCEEHO C[NH+]=C(NCC(=O)N1CCCC1)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000245693456 526345644 /nfs/dbraw/zinc/34/56/44/526345644.db2.gz WMPMRKVRQVTIEC-ZIAGYGMSSA-N 1 3 309.458 0.503 10 30 DCEEHO C[NH+]=C(NCCN1CCOCC1)N[C@@H]1CCN(C2CCCC2)C1 ZINC000262978975 526360060 /nfs/dbraw/zinc/36/00/60/526360060.db2.gz TUTISTVNWOXNSZ-OAHLLOKOSA-N 1 3 323.485 0.501 10 30 DCEEHO C[NH+]=C(NCCNC(C)(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261845776 526360953 /nfs/dbraw/zinc/36/09/53/526360953.db2.gz XGXSAELAVLCMCZ-INIZCTEOSA-N 1 3 309.458 0.552 10 30 DCEEHO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000521230039 416998739 /nfs/dbraw/zinc/99/87/39/416998739.db2.gz RKVAWAXWZUNOHH-GJZGRUSLSA-N 1 3 312.458 0.712 10 30 DCEEHO C[NH+]=C(NCCN1CCOCC1)N[C@H]1CCN(C2CCCC2)C1 ZINC000262978972 526359781 /nfs/dbraw/zinc/35/97/81/526359781.db2.gz TUTISTVNWOXNSZ-HNNXBMFYSA-N 1 3 323.485 0.501 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627385929 417387161 /nfs/dbraw/zinc/38/71/61/417387161.db2.gz AGUYYTCFLZYVSA-DZGCQCFKSA-N 1 3 322.453 0.400 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627386292 417387995 /nfs/dbraw/zinc/38/79/95/417387995.db2.gz LCFGQSLXWQHJLL-LSDHHAIUSA-N 1 3 322.453 0.400 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627385932 417388178 /nfs/dbraw/zinc/38/81/78/417388178.db2.gz AGUYYTCFLZYVSA-ZFWWWQNUSA-N 1 3 322.453 0.400 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000561415093 332448269 /nfs/dbraw/zinc/44/82/69/332448269.db2.gz WHJPEWQAXDAAPV-UHFFFAOYSA-N 1 3 310.442 0.163 10 30 DCEEHO CC[NH+]=C(NCCNC(C)(C)C)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000261681409 528806359 /nfs/dbraw/zinc/80/63/59/528806359.db2.gz DEDAIMIMYYYEAV-KRWDZBQOSA-N 1 3 323.485 0.942 10 30 DCEEHO C=C(C)CN1CCC(NC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626970766 417188143 /nfs/dbraw/zinc/18/81/43/417188143.db2.gz SJCOMGOHQXVFRS-UHFFFAOYSA-N 1 3 310.442 0.834 10 30 DCEEHO C=CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000627386759 417387544 /nfs/dbraw/zinc/38/75/44/417387544.db2.gz WRXCDZGOJNJDHR-UONOGXRCSA-N 1 3 308.426 0.010 10 30 DCEEHO C[NH+]=C(NCCNC(C)(C)C)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261853228 526360663 /nfs/dbraw/zinc/36/06/63/526360663.db2.gz YGQGTMHYKMOPNP-CQSZACIVSA-N 1 3 322.457 0.757 10 30 DCEEHO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CN(C(C)C)C[C@H]1C ZINC000261990722 526392443 /nfs/dbraw/zinc/39/24/43/526392443.db2.gz RDUIKYDLKGNTDP-CHWSQXEVSA-N 1 3 319.457 0.618 10 30 DCEEHO C=CCN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000171740246 526435733 /nfs/dbraw/zinc/43/57/33/526435733.db2.gz ANNNCFQKTSDMFU-INIZCTEOSA-N 1 3 324.469 0.783 10 30 DCEEHO CCn1cnnc1CNC(N[C@@H]1CN(C(C)C)C[C@@H]1C)=[NH+]C ZINC000158262655 664532536 /nfs/dbraw/zinc/53/25/36/664532536.db2.gz WKDXQGOHNFYHPH-QWHCGFSZSA-N 1 3 307.446 0.692 10 30 DCEEHO