smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH+](C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c21 ZINC000006036518 181306795 /nfs/dbraw/zinc/30/67/95/181306795.db2.gz OMMVCTMDWJLPLM-GFCCVEGCSA-N 1 0 324.384 3.658 40 10 DHCBRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c(O)c1 ZINC000012154149 563363152 /nfs/dbraw/zinc/36/31/52/563363152.db2.gz MLEYWUWQPDTSLN-MRXNPFEDSA-N 1 0 316.401 3.815 40 10 DHCBRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)on2)c(O)c1 ZINC000012185851 563364040 /nfs/dbraw/zinc/36/40/40/563364040.db2.gz XPZASMBEGBSPHH-KRWDZBQOSA-N 1 0 316.401 3.815 40 10 DHCBRO Oc1ccc2ccccc2c1CN1CCn2c3ccccc3nc21 ZINC000096305884 563536222 /nfs/dbraw/zinc/53/62/22/563536222.db2.gz ONZGWPDJZJPDCZ-UHFFFAOYSA-N 1 0 315.376 3.915 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000223667093 563735350 /nfs/dbraw/zinc/73/53/50/563735350.db2.gz YTVRFIBCBVBATL-UHFFFAOYSA-N 1 0 300.446 3.837 40 10 DHCBRO CC(=O)Nc1cccc(N[N+](=O)c2cccc(NC(C)=O)c2)c1 ZINC000003845315 181048506 /nfs/dbraw/zinc/04/85/06/181048506.db2.gz OWLCCGJWKWQEJK-VXPUYCOJSA-N 1 0 312.329 3.529 40 10 DHCBRO COCC[NH2+]Cc1cc(C)n(-c2ccc(Cl)cc2C)c1C ZINC000223672867 201653163 /nfs/dbraw/zinc/65/31/63/201653163.db2.gz XQBNOCXDKUPSTK-UHFFFAOYSA-N 1 0 306.837 3.792 40 10 DHCBRO Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1cccc[n+]1C ZINC000005002325 563623404 /nfs/dbraw/zinc/62/34/04/563623404.db2.gz QHQQYVKXHREPSJ-UHFFFAOYSA-N 1 0 304.417 3.543 40 10 DHCBRO C[NH+](C)CCCNc1c2ccccc2nc2cccc([N+](=O)[O-])c21 ZINC000003812939 181046486 /nfs/dbraw/zinc/04/64/86/181046486.db2.gz YMVWGSQGCWCDGW-UHFFFAOYSA-N 1 0 324.384 3.660 40 10 investigational DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223671785 563735100 /nfs/dbraw/zinc/73/51/00/563735100.db2.gz JNWIZIFZRRBTQS-UHFFFAOYSA-N 1 0 306.837 3.874 40 10 DHCBRO C[C@@H](C[NH+](C)C)Nc1c2ccccc2nc2cccc([N+](=O)[O-])c21 ZINC000005493361 181249042 /nfs/dbraw/zinc/24/90/42/181249042.db2.gz OMMVCTMDWJLPLM-LBPRGKRZSA-N 1 0 324.384 3.658 40 10 DHCBRO CC(=O)Nc1cccc(N[N+](=O)c2cccc(NC(C)=O)c2)c1 ZINC000100367887 257232256 /nfs/dbraw/zinc/23/22/56/257232256.db2.gz OWLCCGJWKWQEJK-FMQUCBEESA-N 1 0 312.329 3.529 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000223670647 563735093 /nfs/dbraw/zinc/73/50/93/563735093.db2.gz IHQYEOLRCVSXEB-UHFFFAOYSA-N 1 0 306.837 3.874 40 10 DHCBRO COCC[NH2+]Cc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000223673867 563735045 /nfs/dbraw/zinc/73/50/45/563735045.db2.gz YHDBTDHYLKSOJK-UHFFFAOYSA-N 1 0 306.837 3.792 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000223668328 563735054 /nfs/dbraw/zinc/73/50/54/563735054.db2.gz BFDVZBYYXPMPJI-UHFFFAOYSA-N 1 0 300.446 3.837 40 10 DHCBRO Cc1ccc2c(n1)C(=O)C=CC2=NNc1ccc(C(N)=[NH2+])cc1 ZINC000104231144 563563547 /nfs/dbraw/zinc/56/35/47/563563547.db2.gz FWWWZMVEKAEMES-DQRAZIAOSA-N 1 0 305.341 3.948 40 10 DHCBRO COCC[NH2+]Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000223673385 563735057 /nfs/dbraw/zinc/73/50/57/563735057.db2.gz HZQCAWWPNJMZIM-UHFFFAOYSA-N 1 0 306.837 3.792 40 10 DHCBRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000049168870 560084822 /nfs/dbraw/zinc/08/48/22/560084822.db2.gz CKSUCWBDEJKEFB-INIZCTEOSA-N 1 0 321.424 3.883 40 10 biogenic,in-vitro DHCBRO CN(C)c1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 ZINC000049169047 563700941 /nfs/dbraw/zinc/70/09/41/563700941.db2.gz YHUMLFGNNTWGAQ-INIZCTEOSA-N 1 0 320.440 3.618 40 10 biogenic,in-vitro DHCBRO C[NH+](C)CCN(Cc1cccs1)Cc1cc(Cl)ccc1O ZINC000019582675 182132014 /nfs/dbraw/zinc/13/20/14/182132014.db2.gz BTQQRWUXQITFRV-UHFFFAOYSA-N 1 0 324.877 3.671 40 10 DHCBRO COc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c(O)c1 ZINC000012154150 563363415 /nfs/dbraw/zinc/36/34/15/563363415.db2.gz MLEYWUWQPDTSLN-INIZCTEOSA-N 1 0 316.401 3.815 40 10 DHCBRO Oc1c([C@H](c2ccccn2)[NH+]2CCCCC2)ccc2cccnc21 ZINC000020507220 182225910 /nfs/dbraw/zinc/22/59/10/182225910.db2.gz UNSBLTBZUIGZHT-LJQANCHMSA-N 1 0 319.408 3.911 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223666504 563735110 /nfs/dbraw/zinc/73/51/10/563735110.db2.gz OZLUWUJJSNGFDT-UHFFFAOYSA-N 1 0 300.446 3.837 40 10 DHCBRO COCC[NH2+]Cc1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000223672279 563735198 /nfs/dbraw/zinc/73/51/98/563735198.db2.gz OEHRRDQOFIQYMH-UHFFFAOYSA-N 1 0 306.837 3.792 40 10 DHCBRO CN(C)c1ncc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)s1 ZINC000255190697 568417077 /nfs/dbraw/zinc/41/70/77/568417077.db2.gz YWPKBLLHANFNLT-UHFFFAOYSA-N 1 0 312.462 3.929 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223668903 563735144 /nfs/dbraw/zinc/73/51/44/563735144.db2.gz ZILQNLQOTZEGJO-UHFFFAOYSA-N 1 0 300.446 3.837 40 10 DHCBRO Cn1cc([C@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000019290609 182112592 /nfs/dbraw/zinc/11/25/92/182112592.db2.gz HBFBXRXWXMKFIB-MRXNPFEDSA-N 1 0 319.836 3.896 40 10 DHCBRO Oc1c2ccccc2ccc1[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031658826 563440323 /nfs/dbraw/zinc/44/03/23/563440323.db2.gz RBAHJVKVIABDMN-FQEVSTJZSA-N 1 0 319.404 3.967 40 10 DHCBRO Oc1c2ccccc2ccc1[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031658829 563440337 /nfs/dbraw/zinc/44/03/37/563440337.db2.gz RBAHJVKVIABDMN-HXUWFJFHSA-N 1 0 319.404 3.967 40 10 DHCBRO Cc1ccc2c(n1)C(=O)C=CC2=NNc1ccc(C(N)=[NH2+])cc1 ZINC000005518723 181252620 /nfs/dbraw/zinc/25/26/20/181252620.db2.gz FWWWZMVEKAEMES-QURGRASLSA-N 1 0 305.341 3.948 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223671205 563735087 /nfs/dbraw/zinc/73/50/87/563735087.db2.gz SZVZIQOPQGZOTK-UHFFFAOYSA-N 1 0 306.837 3.874 40 10 DHCBRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)on2)c(O)c1 ZINC000012185848 563363990 /nfs/dbraw/zinc/36/39/90/563363990.db2.gz XPZASMBEGBSPHH-QGZVFWFLSA-N 1 0 316.401 3.815 40 10 DHCBRO Cn1cc([C@@H]2CCCCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000019290607 182112491 /nfs/dbraw/zinc/11/24/91/182112491.db2.gz HBFBXRXWXMKFIB-INIZCTEOSA-N 1 0 319.836 3.896 40 10 DHCBRO Oc1cc2c(cc1O)[C@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000019691550 182137542 /nfs/dbraw/zinc/13/75/42/182137542.db2.gz JDCXDIRUZGBWAK-HNNXBMFYSA-N 1 0 310.180 3.640 40 10 DHCBRO CCN(CC)c1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1 ZINC000006869693 190625918 /nfs/dbraw/zinc/62/59/18/190625918.db2.gz BXOACTDVTFBLNS-UHFFFAOYSA-N 1 0 312.457 3.874 40 10 DHCBRO Cc1cc(C[NH+]2CCCCC2)c(O)c(C[NH+]2CCCCC2)c1 ZINC000001622094 563288172 /nfs/dbraw/zinc/28/81/72/563288172.db2.gz OBMRKNTWRSFMQZ-UHFFFAOYSA-N 1 0 302.462 3.672 40 10 in-vitro DHCBRO Oc1cc2c(cc1O)[C@@H](c1ccc(Cl)c(Cl)c1)[NH2+]CC2 ZINC000019691552 182137941 /nfs/dbraw/zinc/13/79/41/182137941.db2.gz JDCXDIRUZGBWAK-OAHLLOKOSA-N 1 0 310.180 3.640 40 10 DHCBRO Oc1cccc([C@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1 ZINC000000038243 563514841 /nfs/dbraw/zinc/51/48/41/563514841.db2.gz GDKJUKABSCEYAQ-LJQANCHMSA-N 1 0 320.392 3.831 40 10 DHCBRO COc1ccc2[nH]cc(C=Cc3[o+]c4ccccc4n3C)c2c1 ZINC000008739697 563950446 /nfs/dbraw/zinc/95/04/46/563950446.db2.gz INQKQTBZJRQPPY-UHFFFAOYSA-O 1 0 305.357 3.918 40 10 DHCBRO Oc1cccc([C@@H](c2ccc3cccnc3c2O)[NH+]2CCCC2)c1 ZINC000000038242 563514487 /nfs/dbraw/zinc/51/44/87/563514487.db2.gz GDKJUKABSCEYAQ-IBGZPJMESA-N 1 0 320.392 3.831 40 10 DHCBRO COCCC[NH2+]Cc1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223667711 563735077 /nfs/dbraw/zinc/73/50/77/563735077.db2.gz MITBGTAZPQTLLW-UHFFFAOYSA-N 1 0 300.446 3.837 40 10 DHCBRO C[n+]1ccccc1/C=C/c1c[nH]c2ccc(Br)cc12 ZINC000005002321 563623645 /nfs/dbraw/zinc/62/36/45/563623645.db2.gz NZVQHCKHTZVNNJ-UHFFFAOYSA-O 1 0 314.206 3.925 40 10 DHCBRO Oc1c([C@@H](c2ccccn2)[NH+]2CCCCC2)ccc2cccnc21 ZINC000020507221 182226073 /nfs/dbraw/zinc/22/60/73/182226073.db2.gz UNSBLTBZUIGZHT-IBGZPJMESA-N 1 0 319.408 3.911 40 10 DHCBRO