smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c(Nc2ccncc2)ncnc1Sc1ccc(Cl)cc1 ZINC000040586303 205073721 /nfs/dbraw/zinc/07/37/21/205073721.db2.gz AFLFXPABIYYGFM-UHFFFAOYSA-N 0 1 359.798 4.328 10 5 FIBEMN Cc1cccc(Nc2ncnc(Nc3ccc(Cl)cc3)c2[N+](=O)[O-])n1 ZINC000040584707 205073759 /nfs/dbraw/zinc/07/37/59/205073759.db2.gz ILVLZNDGQQXOCE-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1cccc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])c1 ZINC000040648575 205075599 /nfs/dbraw/zinc/07/55/99/205075599.db2.gz SMNSGXHLKDWFEF-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)n[nH]2)cc1[N+](=O)[O-] ZINC000072237723 205502653 /nfs/dbraw/zinc/50/26/53/205502653.db2.gz DSMUVHJTBRZYNS-UHFFFAOYSA-N 0 1 364.283 4.074 10 5 FIBEMN COc1ccc(-c2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)cc1[N+](=O)[O-] ZINC000072237723 205502658 /nfs/dbraw/zinc/50/26/58/205502658.db2.gz DSMUVHJTBRZYNS-UHFFFAOYSA-N 0 1 364.283 4.074 10 5 FIBEMN O=[N+]([O-])c1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c32)c1 ZINC000003815230 204111289 /nfs/dbraw/zinc/11/12/89/204111289.db2.gz BJCWVHPCCLIDDY-UHFFFAOYSA-N 0 1 366.768 4.325 10 5 FIBEMN CC(C)c1ccc(Oc2ncnc(Nc3ccncc3)c2[N+](=O)[O-])cc1 ZINC000040586315 205072650 /nfs/dbraw/zinc/07/26/50/205072650.db2.gz BTDQISFFSIMKDT-UHFFFAOYSA-N 0 1 351.366 4.439 10 5 FIBEMN Cc1ccnc(Nc2ncnc(Nc3cccc(Cl)c3)c2[N+](=O)[O-])c1 ZINC000040588255 205073014 /nfs/dbraw/zinc/07/30/14/205073014.db2.gz NZGNFIHTDQAAFL-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1ccnc(Nc2ncnc(Nc3ccccc3Cl)c2[N+](=O)[O-])c1 ZINC000040588251 205073266 /nfs/dbraw/zinc/07/32/66/205073266.db2.gz ZAAHXJVGZXUTIX-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1ccc(Nc2ncnc(Nc3ccc(Cl)cn3)c2[N+](=O)[O-])cc1 ZINC000040646991 205074392 /nfs/dbraw/zinc/07/43/92/205074392.db2.gz YUPUWWIBBSFEAU-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1cccnc1Nc1ncnc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000040625978 205073929 /nfs/dbraw/zinc/07/39/29/205073929.db2.gz KRCJCQLTDOKLCQ-UHFFFAOYSA-N 0 1 374.763 4.368 10 5 FIBEMN Cc1ccnc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2[N+](=O)[O-])c1 ZINC000040582908 205072460 /nfs/dbraw/zinc/07/24/60/205072460.db2.gz OGQUXTHGBVKLER-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN Cc1ccc2cccc(Oc3ncnc(Nc4ccncc4)c3[N+](=O)[O-])c2n1 ZINC000040586338 205073383 /nfs/dbraw/zinc/07/33/83/205073383.db2.gz MZETYAMKWCORKY-UHFFFAOYSA-N 0 1 374.360 4.172 10 5 FIBEMN CC(C)c1ccc(Nc2ncnc(Nc3ccncc3)c2[N+](=O)[O-])cc1 ZINC000040586293 205073479 /nfs/dbraw/zinc/07/34/79/205073479.db2.gz XPBIPTREAMLTQD-UHFFFAOYSA-N 0 1 350.382 4.390 10 5 FIBEMN Cc1ccnc(Nc2ncnc(Nc3ccc(Cl)cc3)c2[N+](=O)[O-])c1 ZINC000040588259 205073492 /nfs/dbraw/zinc/07/34/92/205073492.db2.gz STYFFJIVGUCZIA-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1ccc(Nc2ncnc(Nc3cccc(C)n3)c2[N+](=O)[O-])c(C)c1 ZINC000040584624 205073612 /nfs/dbraw/zinc/07/36/12/205073612.db2.gz AKNOLYVWOPTNNY-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN O=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1Sc1ccccc1 ZINC000040650176 205076027 /nfs/dbraw/zinc/07/60/27/205076027.db2.gz UZQTXTIZOBGQRD-UHFFFAOYSA-N 0 1 359.798 4.328 10 5 FIBEMN Cc1ccccc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040648101 205076429 /nfs/dbraw/zinc/07/64/29/205076429.db2.gz BCCSFUADEGYDPE-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1cccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2[N+](=O)[O-])n1 ZINC000040584512 208256887 /nfs/dbraw/zinc/25/68/87/208256887.db2.gz GEJOOAZPLRIPEW-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN O=[N+]([O-])c1c(Nc2ccc(F)c(Cl)c2)ncnc1Nc1ccccn1 ZINC000040646868 208261419 /nfs/dbraw/zinc/26/14/19/208261419.db2.gz HSZBWGDFDPJTPJ-UHFFFAOYSA-N 0 1 360.736 4.060 10 5 FIBEMN Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])c3ccccc32)cc1 ZINC000005332486 207093898 /nfs/dbraw/zinc/09/38/98/207093898.db2.gz LVNSNNRYQJNKJI-UHFFFAOYSA-N 0 1 356.403 4.166 10 5 FIBEMN Cc1c(Cl)cccc1Nc1ncnc(Nc2ccncc2)c1[N+](=O)[O-] ZINC000040586281 208256835 /nfs/dbraw/zinc/25/68/35/208256835.db2.gz RXEUMZZZBPZWRV-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1cc(Cl)ccc1Nc1ncnc(Nc2ccccn2)c1[N+](=O)[O-] ZINC000040590515 208258790 /nfs/dbraw/zinc/25/87/90/208258790.db2.gz KJUXXPBGVTVCTP-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])cc1 ZINC000040649030 208260277 /nfs/dbraw/zinc/26/02/77/208260277.db2.gz UJNQIDUSBMQJFQ-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN Cc1ccccc1Nc1ncnc(Nc2ccc(Cl)cn2)c1[N+](=O)[O-] ZINC000040646974 208260398 /nfs/dbraw/zinc/26/03/98/208260398.db2.gz JBZMSTXJVAHGAG-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1cccnc1Cl ZINC000040649443 208261765 /nfs/dbraw/zinc/26/17/65/208261765.db2.gz GYHYJOLJBKGITR-UHFFFAOYSA-N 0 1 360.736 4.060 10 5 FIBEMN CCN(c1ccccc1)c1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040573615 208256658 /nfs/dbraw/zinc/25/66/58/208256658.db2.gz SJZWDKNHBQFQFM-UHFFFAOYSA-N 0 1 370.800 4.335 10 5 FIBEMN Cc1ccnc(Nc2ncnc(Nc3cc(C)ccc3C)c2[N+](=O)[O-])c1 ZINC000040588156 208257080 /nfs/dbraw/zinc/25/70/80/208257080.db2.gz ZDIBSFAHJYTWPE-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])c(C)c1 ZINC000040620956 208259538 /nfs/dbraw/zinc/25/95/38/208259538.db2.gz MRORVMDCDAHRFE-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN O=[N+]([O-])c1c(Nc2cccnc2Cl)ncnc1NC1CCCCCC1 ZINC000040661291 208261066 /nfs/dbraw/zinc/26/10/66/208261066.db2.gz WKEFYKZFPQAZPD-UHFFFAOYSA-N 0 1 362.821 4.312 10 5 FIBEMN Cc1cccnc1Nc1ncnc(Nc2ccccc2Cl)c1[N+](=O)[O-] ZINC000040625777 208258838 /nfs/dbraw/zinc/25/88/38/208258838.db2.gz JVVVSRMXSCPTLO-UHFFFAOYSA-N 0 1 356.773 4.229 10 5 FIBEMN CC(C)c1ccc(Nc2ncnc(Nc3ccccn3)c2[N+](=O)[O-])cc1 ZINC000040594541 208259027 /nfs/dbraw/zinc/25/90/27/208259027.db2.gz FMTOMNSEFBQSFT-UHFFFAOYSA-N 0 1 350.382 4.390 10 5 FIBEMN O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040647000 208261385 /nfs/dbraw/zinc/26/13/85/208261385.db2.gz TXORTOFVBNVDNT-UHFFFAOYSA-N 0 1 360.736 4.060 10 5 FIBEMN Cc1cc(C)cc(Nc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])c1 ZINC000040582983 220910294 /nfs/dbraw/zinc/91/02/94/220910294.db2.gz XLSZTWAYENRDRO-UHFFFAOYSA-N 0 1 350.382 4.192 10 5 FIBEMN