smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(Cl)ccc([N+](=O)[O-])c1CN ZINC000307430351 398164614 /nfs/dbraw/zinc/16/46/14/398164614.db2.gz VKSHLPLRKKOFST-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCN(C)C1 ZINC000042548262 178272786 /nfs/dbraw/zinc/27/27/86/178272786.db2.gz NAEQPCFQXHCNHD-JTQLQIEISA-N 0 3 235.287 2.019 10 5 BEBEHN Cc1cc(Cl)c(CN)cc1[N+](=O)[O-] ZINC000247946156 344984100 /nfs/dbraw/zinc/98/41/00/344984100.db2.gz WJSWIEIVCKPJJE-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc([N+](=O)[O-])c(CN)cc1Cl ZINC000238551930 345076146 /nfs/dbraw/zinc/07/61/46/345076146.db2.gz QRKATENOUUSFES-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1c(Cl)cc([N+](=O)[O-])cc1CN ZINC000247835465 345315494 /nfs/dbraw/zinc/31/54/94/345315494.db2.gz NBJRZNCQQRZKKS-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1c(Br)c([N+](=O)[O-])ccc1CN ZINC000307190291 351591751 /nfs/dbraw/zinc/59/17/51/351591751.db2.gz XEDUMYMTLRBLOK-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1c(CN)cc(Cl)cc1[N+](=O)[O-] ZINC000307344221 352092996 /nfs/dbraw/zinc/09/29/96/352092996.db2.gz YTGYXFOWVUYVAM-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CC(C)CN1C[C@H](N)c2cc([N+](=O)[O-])ccc21 ZINC000019795903 371189301 /nfs/dbraw/zinc/18/93/01/371189301.db2.gz OAFQISNCMKTSIW-NSHDSACASA-N 0 3 235.287 2.071 10 5 BEBEHN CCN1CCC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000041066811 374104938 /nfs/dbraw/zinc/10/49/38/374104938.db2.gz JAHIZHQCWWWIRH-NSHDSACASA-N 0 3 249.314 2.491 10 5 BEBEHN NCc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000299889990 385627119 /nfs/dbraw/zinc/62/71/19/385627119.db2.gz SAZJEKHOOBFACY-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN C[C@H]1NCC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575434086 387057891 /nfs/dbraw/zinc/05/78/91/387057891.db2.gz IZADRDLPUNDXTG-MRVPVSSYSA-N 0 3 218.256 2.291 10 5 BEBEHN N[C@H](CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000575437662 387109065 /nfs/dbraw/zinc/10/90/65/387109065.db2.gz MTMVCWXLKIUPMX-SSDOTTSWSA-N 0 3 216.187 2.250 10 5 BEBEHN CCOCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000036228917 387883297 /nfs/dbraw/zinc/88/32/97/387883297.db2.gz PPAGAFVWTSUWHR-JTQLQIEISA-N 0 3 238.287 2.282 10 5 BEBEHN COC[C@@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525956 388774724 /nfs/dbraw/zinc/77/47/24/388774724.db2.gz UPNFPCHUOHIMSO-ZJUUUORDSA-N 0 3 238.287 2.280 10 5 BEBEHN C[C@H]1Cc2ccc([N+](=O)[O-])cc2[C@H](C)N1 ZINC000223591651 177389806 /nfs/dbraw/zinc/38/98/06/177389806.db2.gz IAHYHYRUXIBBJR-YUMQZZPRSA-N 0 3 206.245 2.190 10 5 BEBEHN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(C)C1 ZINC000042548259 178272344 /nfs/dbraw/zinc/27/23/44/178272344.db2.gz NAEQPCFQXHCNHD-SNVBAGLBSA-N 0 3 235.287 2.019 10 5 BEBEHN Cc1cc(Br)cc(CN)c1[N+](=O)[O-] ZINC000307190038 351589982 /nfs/dbraw/zinc/58/99/82/351589982.db2.gz WCCZZLDKTOPOKK-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN CC1(C)C[C@H](N)c2cc([N+](=O)[O-])ccc2O1 ZINC000011848991 187587198 /nfs/dbraw/zinc/58/71/98/187587198.db2.gz YICIWICNCXJAPO-VIFPVBQESA-N 0 3 222.244 2.156 10 5 BEBEHN CCN(CC)Cc1ccc([N+](=O)[O-])c(N)c1 ZINC000087226162 354129626 /nfs/dbraw/zinc/12/96/26/354129626.db2.gz ZWLQYVMVYOECCD-UHFFFAOYSA-N 0 3 223.276 2.019 10 5 BEBEHN Cc1cc([N+](=O)[O-])c(Cl)cc1CN ZINC000306654609 372051644 /nfs/dbraw/zinc/05/16/44/372051644.db2.gz JUYGSWFYLXSGEY-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN O=[N+]([O-])c1cccc(NCCN2CCCC2)c1 ZINC000041579295 374147446 /nfs/dbraw/zinc/14/74/46/374147446.db2.gz VVEDHFCHDSVZMA-UHFFFAOYSA-N 0 3 235.287 2.103 10 5 BEBEHN C[C@@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000052272257 385714213 /nfs/dbraw/zinc/71/42/13/385714213.db2.gz DEFZRTPVOWDTIY-KCJUWKMLSA-N 0 3 206.245 2.093 10 5 BEBEHN C[C@@H](N)c1c(Br)cccc1[N+](=O)[O-] ZINC000238412509 386480470 /nfs/dbraw/zinc/48/04/70/386480470.db2.gz XSDCMCRUUHHQLG-RXMQYKEDSA-N 0 3 245.076 2.377 10 5 BEBEHN CCN(C)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000054127832 387347087 /nfs/dbraw/zinc/34/70/87/387347087.db2.gz UPAXBRJWQYJCMZ-UHFFFAOYSA-N 0 3 241.266 2.098 10 5 BEBEHN C[C@H](N)c1c(Br)cccc1[N+](=O)[O-] ZINC000238804638 135078439 /nfs/dbraw/zinc/07/84/39/135078439.db2.gz XSDCMCRUUHHQLG-YFKPBYRVSA-N 0 3 245.076 2.377 10 5 BEBEHN CC(C)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000037186316 167116261 /nfs/dbraw/zinc/11/62/61/167116261.db2.gz KAVTWQWVCGNDDX-UHFFFAOYSA-N 0 3 230.214 2.371 10 5 BEBEHN CNCc1cc(Br)cc([N+](=O)[O-])c1 ZINC000083373310 173386059 /nfs/dbraw/zinc/38/60/59/173386059.db2.gz QHQFEYNPZLATAV-UHFFFAOYSA-N 0 3 245.076 2.077 10 5 BEBEHN COCCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526223 174249953 /nfs/dbraw/zinc/24/99/53/174249953.db2.gz OBTUVZAIEBDQIZ-SNVBAGLBSA-N 0 3 238.287 2.282 10 5 BEBEHN C[C@H]1N[C@@H](C)Cc2ccc([N+](=O)[O-])cc21 ZINC000223591707 177389445 /nfs/dbraw/zinc/38/94/45/177389445.db2.gz IAHYHYRUXIBBJR-JGVFFNPUSA-N 0 3 206.245 2.190 10 5 BEBEHN CC[C@@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176053 582552533 /nfs/dbraw/zinc/55/25/33/582552533.db2.gz WJUZYETTWUEGKU-WPRPVWTQSA-N 0 3 222.244 2.074 10 5 BEBEHN Cc1ccccc1[C@H](C(C)[N+](=O)[O-])n1cccn1 ZINC000252514055 179347181 /nfs/dbraw/zinc/34/71/81/179347181.db2.gz AZMCQWDHAIPSQE-AAEUAGOBSA-N 0 3 245.282 2.446 10 5 BEBEHN Cc1ccc(CN)c(Cl)c1[N+](=O)[O-] ZINC000306836755 351147677 /nfs/dbraw/zinc/14/76/77/351147677.db2.gz UILBFVQUMCFMBK-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc([N+](=O)[O-])cc(Br)c1CN ZINC000307378746 352477226 /nfs/dbraw/zinc/47/72/26/352477226.db2.gz DLOWCUGCHPZOOH-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1c(Br)cc([N+](=O)[O-])cc1CN ZINC000307537236 352641994 /nfs/dbraw/zinc/64/19/94/352641994.db2.gz UMNIERZWYOEFHY-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NCc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000307520913 352635371 /nfs/dbraw/zinc/63/53/71/352635371.db2.gz YNAGOIQAXXIUPC-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1c(CN)ccc(Br)c1[N+](=O)[O-] ZINC000306754031 353037233 /nfs/dbraw/zinc/03/72/33/353037233.db2.gz PERGVZKGXVWHSV-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NCc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000306523071 360359762 /nfs/dbraw/zinc/35/97/62/360359762.db2.gz RFPLPXSSPWWAMO-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN O=[N+]([O-])[C@]1(c2ccccc2)CC[C@@H]2CCCN2C1 ZINC000114691994 368947687 /nfs/dbraw/zinc/94/76/87/368947687.db2.gz DDXFLZNPVAJFQN-UONOGXRCSA-N 0 3 246.310 2.417 10 5 BEBEHN C[C@H](N[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131327857 371588048 /nfs/dbraw/zinc/58/80/48/371588048.db2.gz DHRYQFLLFOFMMC-VHSXEESVSA-N 0 3 236.271 2.034 10 5 BEBEHN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040503226 373356588 /nfs/dbraw/zinc/35/65/88/373356588.db2.gz WAZNWUKTMMMMRG-GFCCVEGCSA-N 0 3 249.314 2.491 10 5 BEBEHN C[C@H](NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000034963844 385629661 /nfs/dbraw/zinc/62/96/61/385629661.db2.gz IDYVJAXTCVMBIY-QMMMGPOBSA-N 0 3 206.245 2.408 10 5 BEBEHN N[C@H](CC(F)F)c1cc([N+](=O)[O-])ccc1F ZINC000575437511 387109491 /nfs/dbraw/zinc/10/94/91/387109491.db2.gz HYKKSOBTGPEOJK-MRVPVSSYSA-N 0 3 234.177 2.389 10 5 BEBEHN C[C@@H](N)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000066352322 388681746 /nfs/dbraw/zinc/68/17/46/388681746.db2.gz UGEHGFKWQXRLNP-RXMQYKEDSA-N 0 3 200.625 2.268 10 5 BEBEHN COC[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525958 388774754 /nfs/dbraw/zinc/77/47/54/388774754.db2.gz UPNFPCHUOHIMSO-NXEZZACHSA-N 0 3 238.287 2.280 10 5 BEBEHN CC(C)CN1C[C@@H](N)c2cc([N+](=O)[O-])ccc21 ZINC000019795901 166978102 /nfs/dbraw/zinc/97/81/02/166978102.db2.gz OAFQISNCMKTSIW-LLVKDONJSA-N 0 3 235.287 2.071 10 5 BEBEHN CCN1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000328175188 170014309 /nfs/dbraw/zinc/01/43/09/170014309.db2.gz KZXFJBUKLZXAQI-SNVBAGLBSA-N 0 3 235.287 2.101 10 5 BEBEHN CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368044 170125243 /nfs/dbraw/zinc/12/52/43/170125243.db2.gz JRJPYCISSBFEGA-UHFFFAOYSA-N 0 3 214.652 2.358 10 5 BEBEHN CCNCc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000034660351 170127861 /nfs/dbraw/zinc/12/78/61/170127861.db2.gz LUJMMKMYHHSROX-UHFFFAOYSA-N 0 3 246.213 2.306 10 5 BEBEHN C[C@H]1C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000052272276 177349703 /nfs/dbraw/zinc/34/97/03/177349703.db2.gz LXPFYLKSGBIRHM-WPRPVWTQSA-N 0 3 206.245 2.093 10 5 BEBEHN C[C@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000052272279 177385364 /nfs/dbraw/zinc/38/53/64/177385364.db2.gz LXPFYLKSGBIRHM-WCBMZHEXSA-N 0 3 206.245 2.093 10 5 BEBEHN Cc1cc(Cl)c(CN)c([N+](=O)[O-])c1 ZINC000306839378 351148848 /nfs/dbraw/zinc/14/88/48/351148848.db2.gz ZAONDGHVQAWIQZ-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc(CN)cc([N+](=O)[O-])c1Br ZINC000307048753 351447217 /nfs/dbraw/zinc/44/72/17/351447217.db2.gz JVEDSQBFYOMRGH-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1cc(CN)c(Br)cc1[N+](=O)[O-] ZINC000307277028 351832293 /nfs/dbraw/zinc/83/22/93/351832293.db2.gz YYPYSYDFCHBGRF-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1ccc(Cl)c([N+](=O)[O-])c1CN ZINC000307447525 352603080 /nfs/dbraw/zinc/60/30/80/352603080.db2.gz JJMDVIFNYCHJAG-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CNCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000035014568 188284976 /nfs/dbraw/zinc/28/49/76/188284976.db2.gz KYWIKOHQDQRWEJ-UHFFFAOYSA-N 0 3 245.076 2.077 10 5 BEBEHN Cc1cc([N+](=O)[O-])c(CN)cc1Br ZINC000306598913 360519332 /nfs/dbraw/zinc/51/93/32/360519332.db2.gz GURZUISPJJKGKP-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000238667074 361175073 /nfs/dbraw/zinc/17/50/73/361175073.db2.gz IOKCHDDPTSRRMR-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN NC1(c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000095938190 181333749 /nfs/dbraw/zinc/33/37/49/181333749.db2.gz GKDYGZDTYBFEGW-UHFFFAOYSA-N 0 3 212.636 2.196 10 5 BEBEHN Cc1cc(CN2CCCC2)ccc1[N+](=O)[O-] ZINC000222215972 368363339 /nfs/dbraw/zinc/36/33/39/368363339.db2.gz VNXKOTMUBKQBSP-UHFFFAOYSA-N 0 3 220.272 2.499 10 5 BEBEHN C[NH+]1CCC(c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000040434168 373262642 /nfs/dbraw/zinc/26/26/42/373262642.db2.gz PZZDQXROWDXYTA-UHFFFAOYSA-N 0 3 236.271 2.110 10 5 BEBEHN CCCCNc1ccc(CN)cc1[N+](=O)[O-] ZINC000098124800 168878965 /nfs/dbraw/zinc/87/89/65/168878965.db2.gz ONKQPKBTXZVOOV-UHFFFAOYSA-N 0 3 223.276 2.266 10 5 BEBEHN CCCN(C)Cc1cc([N+](=O)[O-])ccc1NC ZINC000050813197 169080573 /nfs/dbraw/zinc/08/05/73/169080573.db2.gz UDOIAGGZKSZIHB-UHFFFAOYSA-N 0 3 237.303 2.478 10 5 BEBEHN CCCNCc1cc(F)ccc1[N+](=O)[O-] ZINC000035308161 169265947 /nfs/dbraw/zinc/26/59/47/169265947.db2.gz WAMXYXYELYDHRP-UHFFFAOYSA-N 0 3 212.224 2.234 10 5 BEBEHN CCCOc1ccc([N+](=O)[O-])cc1CNCC ZINC000035414704 169322367 /nfs/dbraw/zinc/32/23/67/169322367.db2.gz WWQAPXMBRXXOOO-UHFFFAOYSA-N 0 3 238.287 2.493 10 5 BEBEHN NCc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000044250245 384542492 /nfs/dbraw/zinc/54/24/92/384542492.db2.gz MGZXRBSZAAVYKL-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN C[C@@H]1C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000052272274 385715691 /nfs/dbraw/zinc/71/56/91/385715691.db2.gz LXPFYLKSGBIRHM-SCZZXKLOSA-N 0 3 206.245 2.093 10 5 BEBEHN N[C@@H](CC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000575437439 387107695 /nfs/dbraw/zinc/10/76/95/387107695.db2.gz FBUJGBGVFVWXRO-ZETCQYMHSA-N 0 3 234.177 2.389 10 5 BEBEHN N[C@H](CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000575437813 387110458 /nfs/dbraw/zinc/11/04/58/387110458.db2.gz VJSCUISSDGXZFZ-SSDOTTSWSA-N 0 3 234.177 2.389 10 5 BEBEHN N[C@H](CCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000575439145 387121971 /nfs/dbraw/zinc/12/19/71/387121971.db2.gz PZQBRAPNHFZQLV-MRVPVSSYSA-N 0 3 216.187 2.093 10 5 BEBEHN CCN1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000328175187 170022610 /nfs/dbraw/zinc/02/26/10/170022610.db2.gz KZXFJBUKLZXAQI-JTQLQIEISA-N 0 3 235.287 2.101 10 5 BEBEHN CCNCc1c[nH]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000062821018 170124739 /nfs/dbraw/zinc/12/47/39/170124739.db2.gz KNCFZHBGEYPTFB-UHFFFAOYSA-N 0 3 246.270 2.094 10 5 BEBEHN CNCc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000036765194 173389016 /nfs/dbraw/zinc/38/90/16/173389016.db2.gz KRAYDGCATZZIKS-UHFFFAOYSA-N 0 3 236.271 2.103 10 5 BEBEHN COCCCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526222 174249128 /nfs/dbraw/zinc/24/91/28/174249128.db2.gz OBTUVZAIEBDQIZ-JTQLQIEISA-N 0 3 238.287 2.282 10 5 BEBEHN C[C@H]1C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000052272259 177350406 /nfs/dbraw/zinc/35/04/06/177350406.db2.gz DEFZRTPVOWDTIY-KWQFWETISA-N 0 3 206.245 2.093 10 5 BEBEHN C[C@H]1C[C@@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000052278680 177350433 /nfs/dbraw/zinc/35/04/33/177350433.db2.gz VEGISBHSGYZWGJ-XVKPBYJWSA-N 0 3 224.235 2.232 10 5 BEBEHN CC[C@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175548 586433167 /nfs/dbraw/zinc/43/31/67/586433167.db2.gz AOGQOXWLBYYVRD-ZJUUUORDSA-N 0 3 222.244 2.074 10 5 BEBEHN Cc1ccccc1[C@H](C(C)[N+](=O)[O-])n1cccn1 ZINC000252514058 179346740 /nfs/dbraw/zinc/34/67/40/179346740.db2.gz AZMCQWDHAIPSQE-YPMHNXCESA-N 0 3 245.282 2.446 10 5 BEBEHN Cc1nc2ccc([N+](=O)[O-])cc2c(N)c1C ZINC000039109831 180100695 /nfs/dbraw/zinc/10/06/95/180100695.db2.gz GSUZGXOLOBKVQT-UHFFFAOYSA-N 0 3 217.228 2.342 10 5 BEBEHN N[C@H]1CN(C2CCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000019795918 352750724 /nfs/dbraw/zinc/75/07/24/352750724.db2.gz RJTDKWRNUOEIQS-LBPRGKRZSA-N 0 3 247.298 2.357 10 5 BEBEHN CCOP(=O)(CCC(F)[N+](=O)[O-])OCC ZINC000584602178 358260044 /nfs/dbraw/zinc/26/00/44/358260044.db2.gz PDYWHHPRXRXJSE-ZETCQYMHSA-N 0 3 243.171 2.215 10 5 BEBEHN COC[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525959 371288892 /nfs/dbraw/zinc/28/88/92/371288892.db2.gz UPNFPCHUOHIMSO-VHSXEESVSA-N 0 3 238.287 2.280 10 5 BEBEHN Cc1cc(-c2nc(CN)cs2)ccc1[N+](=O)[O-] ZINC000083380896 384515399 /nfs/dbraw/zinc/51/53/99/384515399.db2.gz KXKBIKIKOSCAII-UHFFFAOYSA-N 0 3 249.295 2.485 10 5 BEBEHN NCc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000095830163 388786639 /nfs/dbraw/zinc/78/66/39/388786639.db2.gz IPCQEKVWBNRDHD-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN CCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050442970 170126401 /nfs/dbraw/zinc/12/64/01/170126401.db2.gz MRPYDIBNTQDVRJ-UHFFFAOYSA-N 0 3 214.652 2.358 10 5 BEBEHN CC[C@H](C)COc1cc(CN)ccc1[N+](=O)[O-] ZINC000050516246 171291721 /nfs/dbraw/zinc/29/17/21/171291721.db2.gz DFQJMQVHIXAARD-VIFPVBQESA-N 0 3 238.287 2.478 10 5 BEBEHN CC[C@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@@H]1N ZINC000757175736 586433193 /nfs/dbraw/zinc/43/31/93/586433193.db2.gz JMEQSMXNRBCFSM-ZJUUUORDSA-N 0 3 222.244 2.074 10 5 BEBEHN CC[C@@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@H]1N ZINC000757175734 586433224 /nfs/dbraw/zinc/43/32/24/586433224.db2.gz JMEQSMXNRBCFSM-VHSXEESVSA-N 0 3 222.244 2.074 10 5 BEBEHN CN1CC=C(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000027194744 344234269 /nfs/dbraw/zinc/23/42/69/344234269.db2.gz QVJDJQCVBWSNHI-UHFFFAOYSA-N 0 3 218.256 2.314 10 5 BEBEHN NCc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000044250282 344991468 /nfs/dbraw/zinc/99/14/68/344991468.db2.gz KKXOWLWZIKATFP-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN NCc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000247651426 345309415 /nfs/dbraw/zinc/30/94/15/345309415.db2.gz NLEJQIUZGHFNIV-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1cc(Br)c(CN)c([N+](=O)[O-])c1 ZINC000307264572 351812219 /nfs/dbraw/zinc/81/22/19/351812219.db2.gz CGMVEEFUFYTQEM-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NCc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000307533469 352639050 /nfs/dbraw/zinc/63/90/50/352639050.db2.gz OMYWUZIAZUCQPC-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1ccc([N+](=O)[O-])c(Br)c1CN ZINC000307633003 352723803 /nfs/dbraw/zinc/72/38/03/352723803.db2.gz MVSVACMUGVBPTN-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN O=[N+]([O-])c1ccc([C@H]2CCCCN2)cc1 ZINC000060165024 188360133 /nfs/dbraw/zinc/36/01/33/188360133.db2.gz YCUSNNDZLDXWRM-LLVKDONJSA-N 0 3 206.245 2.409 10 5 BEBEHN Cc1ccc(CN)c([N+](=O)[O-])c1Br ZINC000306591585 360507305 /nfs/dbraw/zinc/50/73/05/360507305.db2.gz YQIYLDVJLZBUKW-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1c(Br)c(CN)ccc1[N+](=O)[O-] ZINC000306608904 360574479 /nfs/dbraw/zinc/57/44/79/360574479.db2.gz XGMWZWADWTVXPA-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NC1(c2cc(F)ccc2[N+](=O)[O-])CCC1 ZINC000098089628 181333994 /nfs/dbraw/zinc/33/39/94/181333994.db2.gz HJGWFUVDOUHSJX-UHFFFAOYSA-N 0 3 210.208 2.072 10 5 BEBEHN CCCOc1ccc(CNCC)cc1[N+](=O)[O-] ZINC000034660332 169318608 /nfs/dbraw/zinc/31/86/08/169318608.db2.gz DAGVPRLRCHZTIH-UHFFFAOYSA-N 0 3 238.287 2.493 10 5 BEBEHN C[C@@H]1Cc2ccc([N+](=O)[O-])cc2[C@@H](C)N1 ZINC000038762202 384093706 /nfs/dbraw/zinc/09/37/06/384093706.db2.gz IAHYHYRUXIBBJR-HTQZYQBOSA-N 0 3 206.245 2.190 10 5 BEBEHN C[C@@H]1C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000052272278 385714378 /nfs/dbraw/zinc/71/43/78/385714378.db2.gz LXPFYLKSGBIRHM-PSASIEDQSA-N 0 3 206.245 2.093 10 5 BEBEHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCC1CC1)CN2 ZINC000211929940 386832100 /nfs/dbraw/zinc/83/21/00/386832100.db2.gz UBKNRUYZVXALFA-LBPRGKRZSA-N 0 3 233.271 2.061 10 5 BEBEHN C[C@@H](N[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328430 134629177 /nfs/dbraw/zinc/62/91/77/134629177.db2.gz DHRYQFLLFOFMMC-ZJUUUORDSA-N 0 3 236.271 2.034 10 5 BEBEHN Cc1cc(Br)c([N+](=O)[O-])c(CN)c1 ZINC000306944261 397959495 /nfs/dbraw/zinc/95/94/95/397959495.db2.gz XLCUWZDNDIDJSR-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN CC(C)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083366731 167118663 /nfs/dbraw/zinc/11/86/63/167118663.db2.gz JWKJWIBZANRIRQ-UHFFFAOYSA-N 0 3 239.231 2.001 10 5 BEBEHN CCN1CC[C@@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000336885537 170014209 /nfs/dbraw/zinc/01/42/09/170014209.db2.gz AVXREGHUXGVUCC-LLVKDONJSA-N 0 3 249.314 2.409 10 5 BEBEHN Cc1cc(N[C@H]2CCN(C)C2)c([N+](=O)[O-])cc1C ZINC000061989853 178190740 /nfs/dbraw/zinc/19/07/40/178190740.db2.gz KGAOJEZZAKBTJV-NSHDSACASA-N 0 3 249.314 2.328 10 5 BEBEHN NCc1ccc(CN2CCCCC2)cc1[N+](=O)[O-] ZINC000165392568 343141599 /nfs/dbraw/zinc/14/15/99/343141599.db2.gz JNMHWPHLNLWJJL-UHFFFAOYSA-N 0 3 249.314 2.039 10 5 BEBEHN Cc1ccccc1[C@@H](C(C)[N+](=O)[O-])n1cccn1 ZINC000252514056 179327581 /nfs/dbraw/zinc/32/75/81/179327581.db2.gz AZMCQWDHAIPSQE-DGCLKSJQSA-N 0 3 245.282 2.446 10 5 BEBEHN Cc1c([N+](=O)[O-])ccc(Br)c1CN ZINC000306929492 351345941 /nfs/dbraw/zinc/34/59/41/351345941.db2.gz BHFYNCMPXSJKJK-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1cc(CN)c(Cl)c([N+](=O)[O-])c1 ZINC000307665140 352748852 /nfs/dbraw/zinc/74/88/52/352748852.db2.gz ASUKFEREIGYOBN-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1ccc2c(c1)nc(N)c1ncc(CN)cc21 ZINC000115016290 368967459 /nfs/dbraw/zinc/96/74/59/368967459.db2.gz OHMKOJCFZPPPGW-UHFFFAOYSA-N 0 3 238.294 2.132 10 5 BEBEHN O=[N+]([O-])c1ccc([C@@H]2CCCCN2)cc1 ZINC000060165023 384470731 /nfs/dbraw/zinc/47/07/31/384470731.db2.gz YCUSNNDZLDXWRM-NSHDSACASA-N 0 3 206.245 2.409 10 5 BEBEHN CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000126271997 384783471 /nfs/dbraw/zinc/78/34/71/384783471.db2.gz IKEORTNLNMZILK-UHFFFAOYSA-N 0 3 208.261 2.355 10 5 BEBEHN N[C@H](CCF)c1cc([N+](=O)[O-])ccc1F ZINC000575439417 387084953 /nfs/dbraw/zinc/08/49/53/387084953.db2.gz JQTKRBIUUFHNPM-SECBINFHSA-N 0 3 216.187 2.093 10 5 BEBEHN N[C@H](CC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000575437422 387106876 /nfs/dbraw/zinc/10/68/76/387106876.db2.gz FBUJGBGVFVWXRO-SSDOTTSWSA-N 0 3 234.177 2.389 10 5 BEBEHN Cc1c(CN)cc(Br)cc1[N+](=O)[O-] ZINC000306606531 387589959 /nfs/dbraw/zinc/58/99/59/387589959.db2.gz RPDCGQRHVJVCOI-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN O=[N+]([O-])c1ccccc1CN[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000125251144 388779817 /nfs/dbraw/zinc/77/98/17/388779817.db2.gz UPCZGHQLQKYJMB-MDZLAQPJSA-N 0 3 248.282 2.004 10 5 BEBEHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCC1CC1)CN2 ZINC000211929864 398050660 /nfs/dbraw/zinc/05/06/60/398050660.db2.gz UBKNRUYZVXALFA-GFCCVEGCSA-N 0 3 233.271 2.061 10 5 BEBEHN CC(C)CNCc1cc(F)ccc1[N+](=O)[O-] ZINC000035307962 167007490 /nfs/dbraw/zinc/00/74/90/167007490.db2.gz OOFRXLJMMNDOFV-UHFFFAOYSA-N 0 3 226.251 2.480 10 5 BEBEHN CC[C@@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@H]1N ZINC000757175544 586432935 /nfs/dbraw/zinc/43/29/35/586432935.db2.gz AOGQOXWLBYYVRD-VHSXEESVSA-N 0 3 222.244 2.074 10 5 BEBEHN O=[N+]([O-])c1ccc(Cl)c([C@@H]2CCN2)c1 ZINC000044257427 344996663 /nfs/dbraw/zinc/99/66/63/344996663.db2.gz WGDIPMDEJSCHCA-VIFPVBQESA-N 0 3 212.636 2.283 10 5 BEBEHN Cc1cc(Br)c([N+](=O)[O-])cc1CN ZINC000307023330 351427354 /nfs/dbraw/zinc/42/73/54/351427354.db2.gz FGIICYPHNYZCNV-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1cc(CN)cc(Cl)c1[N+](=O)[O-] ZINC000307435929 352595867 /nfs/dbraw/zinc/59/58/67/352595867.db2.gz ONVSLTKCTRUPRA-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1c(Br)ccc(CN)c1[N+](=O)[O-] ZINC000307673292 352751026 /nfs/dbraw/zinc/75/10/26/352751026.db2.gz ZAMYZAYUYHJISK-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN O=[N+]([O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1C1CC1 ZINC000141048806 372859339 /nfs/dbraw/zinc/85/93/39/372859339.db2.gz ABGCDFKIFZVRBE-KGLIPLIRSA-N 0 3 246.310 2.174 10 5 BEBEHN NCc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000306814881 385806875 /nfs/dbraw/zinc/80/68/75/385806875.db2.gz CDFBEQMOURPDAN-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1cc(CN)cc([N+](=O)[O-])c1Cl ZINC000307488891 386684002 /nfs/dbraw/zinc/68/40/02/386684002.db2.gz FMRMZYMUCHBNBX-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN N[C@@H](CC(F)F)c1cc([N+](=O)[O-])ccc1F ZINC000575437512 387109295 /nfs/dbraw/zinc/10/92/95/387109295.db2.gz HYKKSOBTGPEOJK-QMMMGPOBSA-N 0 3 234.177 2.389 10 5 BEBEHN N[C@@H](CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000575437929 387112750 /nfs/dbraw/zinc/11/27/50/387112750.db2.gz CLMJATDJGOYLCM-QMMMGPOBSA-N 0 3 216.187 2.250 10 5 BEBEHN CC[C@@H]1NCCc2ccc([N+](=O)[O-])cc21 ZINC000039101088 171150340 /nfs/dbraw/zinc/15/03/40/171150340.db2.gz JKJKWLLJGMVKGF-NSHDSACASA-N 0 3 206.245 2.192 10 5 BEBEHN CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000039110208 173048348 /nfs/dbraw/zinc/04/83/48/173048348.db2.gz UUUUSXUSFHOGFQ-NSHDSACASA-N 0 3 220.272 2.404 10 5 BEBEHN Cc1ccccc1[C@@H](C(C)[N+](=O)[O-])n1cccn1 ZINC000252514057 179329078 /nfs/dbraw/zinc/32/90/78/179329078.db2.gz AZMCQWDHAIPSQE-WCQYABFASA-N 0 3 245.282 2.446 10 5 BEBEHN Cc1c(Cl)cc(CN)cc1[N+](=O)[O-] ZINC000307011347 351418936 /nfs/dbraw/zinc/41/89/36/351418936.db2.gz OWSRLXDAHJDWGB-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1c(CN)ccc(Cl)c1[N+](=O)[O-] ZINC000307269374 351819948 /nfs/dbraw/zinc/81/99/48/351819948.db2.gz NAFUYOLNZIIWTB-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1ccc(Br)c([N+](=O)[O-])c1CN ZINC000307467326 352615994 /nfs/dbraw/zinc/61/59/94/352615994.db2.gz PMUHSAQOJZQPGA-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN CCOP(=O)(CCC(F)[N+](=O)[O-])OCC ZINC000584602156 358260067 /nfs/dbraw/zinc/26/00/67/358260067.db2.gz PDYWHHPRXRXJSE-SSDOTTSWSA-N 0 3 243.171 2.215 10 5 BEBEHN C[C@@H](N[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328032 371588338 /nfs/dbraw/zinc/58/83/38/371588338.db2.gz DHRYQFLLFOFMMC-NXEZZACHSA-N 0 3 236.271 2.034 10 5 BEBEHN C[C@H](N[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000131328196 371588816 /nfs/dbraw/zinc/58/88/16/371588816.db2.gz DHRYQFLLFOFMMC-UWVGGRQHSA-N 0 3 236.271 2.034 10 5 BEBEHN N[C@@H](CCF)c1cc(F)ccc1[N+](=O)[O-] ZINC000575438239 387111812 /nfs/dbraw/zinc/11/18/12/387111812.db2.gz FUISUXJSXUHICN-QMMMGPOBSA-N 0 3 216.187 2.093 10 5 BEBEHN CCN(C)CCNc1sccc1[N+](=O)[O-] ZINC000301935127 388714993 /nfs/dbraw/zinc/71/49/93/388714993.db2.gz OZKNOLYBOZAOIU-UHFFFAOYSA-N 0 3 229.305 2.020 10 5 BEBEHN CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1CNC ZINC000035414630 171356238 /nfs/dbraw/zinc/35/62/38/171356238.db2.gz CITDMCFIEFTMRW-VIFPVBQESA-N 0 3 238.287 2.492 10 5 BEBEHN CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000039110209 173022837 /nfs/dbraw/zinc/02/28/37/173022837.db2.gz UUUUSXUSFHOGFQ-LLVKDONJSA-N 0 3 220.272 2.404 10 5 BEBEHN C[C@H]1C[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412218 177379244 /nfs/dbraw/zinc/37/92/44/177379244.db2.gz AXZSESKITPVNCQ-UWVGGRQHSA-N 0 3 249.314 2.265 10 5 BEBEHN Cc1cc([N+](=O)[O-])cc(Cl)c1CN ZINC000306909049 351321413 /nfs/dbraw/zinc/32/14/13/351321413.db2.gz GBDCQCBPFRDGMF-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc([N+](=O)[O-])cc(CN)c1Cl ZINC000307033654 351434016 /nfs/dbraw/zinc/43/40/16/351434016.db2.gz TUMMPDQNHRMAEJ-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CC(C)N1CC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000044572647 188123870 /nfs/dbraw/zinc/12/38/70/188123870.db2.gz WDTNMMNMYKUPGF-LLVKDONJSA-N 0 3 249.314 2.489 10 5 BEBEHN Cc1cc([N+](=O)[O-])c(Br)cc1CN ZINC000306913772 372077120 /nfs/dbraw/zinc/07/71/20/372077120.db2.gz PXVXUUXIDUKIDN-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN C[C@@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000052272261 385714331 /nfs/dbraw/zinc/71/43/31/385714331.db2.gz DEFZRTPVOWDTIY-LDYMZIIASA-N 0 3 206.245 2.093 10 5 BEBEHN Cc1ccc(N2C[C@@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000250971308 132304037 /nfs/dbraw/zinc/30/40/37/132304037.db2.gz AYFWESCZVYCQEB-GHMZBOCLSA-N 0 3 249.314 2.090 10 5 BEBEHN CCN1CC[C@@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328191710 170014607 /nfs/dbraw/zinc/01/46/07/170014607.db2.gz PPBWJSMVNNLXKZ-LLVKDONJSA-N 0 3 249.314 2.409 10 5 BEBEHN C[C@@H]1C[C@@H]1CN(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413788 176391389 /nfs/dbraw/zinc/39/13/89/176391389.db2.gz FDYGUTHIVHXYAW-MWLCHTKSSA-N 0 3 249.314 2.265 10 5 BEBEHN CC[C@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@H]1N ZINC000757175539 586433079 /nfs/dbraw/zinc/43/30/79/586433079.db2.gz AOGQOXWLBYYVRD-NXEZZACHSA-N 0 3 222.244 2.074 10 5 BEBEHN CC[C@@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176051 586433604 /nfs/dbraw/zinc/43/36/04/586433604.db2.gz WJUZYETTWUEGKU-WCBMZHEXSA-N 0 3 222.244 2.074 10 5 BEBEHN NCc1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000247636627 344359302 /nfs/dbraw/zinc/35/93/02/344359302.db2.gz DWRXESWUXJMAHK-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000040503225 350369774 /nfs/dbraw/zinc/36/97/74/350369774.db2.gz WAZNWUKTMMMMRG-LBPRGKRZSA-N 0 3 249.314 2.491 10 5 BEBEHN Cc1c([N+](=O)[O-])ccc(Cl)c1CN ZINC000307274085 351829577 /nfs/dbraw/zinc/82/95/77/351829577.db2.gz YIOXFBNHEIXPRS-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN NCc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000307607106 352668528 /nfs/dbraw/zinc/66/85/28/352668528.db2.gz BEMMKOUIUKOCAY-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@@H]2CCCN2C1 ZINC000114691996 368947444 /nfs/dbraw/zinc/94/74/44/368947444.db2.gz DDXFLZNPVAJFQN-KBPBESRZSA-N 0 3 246.310 2.417 10 5 BEBEHN NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000044236384 181482228 /nfs/dbraw/zinc/48/22/28/181482228.db2.gz YEPQBZHQKFWZPL-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN N[C@@H]1CN(C2CCCC2)c2ccc([N+](=O)[O-])cc21 ZINC000019795916 371189628 /nfs/dbraw/zinc/18/96/28/371189628.db2.gz RJTDKWRNUOEIQS-GFCCVEGCSA-N 0 3 247.298 2.357 10 5 BEBEHN CCOC[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000044689957 384661081 /nfs/dbraw/zinc/66/10/81/384661081.db2.gz DMYDOTTZWIPGGU-JTQLQIEISA-N 0 3 238.287 2.109 10 5 BEBEHN CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328455385 170013663 /nfs/dbraw/zinc/01/36/63/170013663.db2.gz FEKCXEOBXBCTQF-LLVKDONJSA-N 0 3 235.287 2.101 10 5 BEBEHN CCNCc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000050517032 170127778 /nfs/dbraw/zinc/12/77/78/170127778.db2.gz PRVGVGDCYKMKII-UHFFFAOYSA-N 0 3 246.213 2.306 10 5 BEBEHN CNCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000003710584 173395299 /nfs/dbraw/zinc/39/52/99/173395299.db2.gz ZAJCQRCJBXNORC-UHFFFAOYSA-N 0 3 249.295 2.438 10 5 BEBEHN C[C@H](N)c1cc([N+](=O)[O-])c(F)cc1Cl ZINC000083592131 176775784 /nfs/dbraw/zinc/77/57/84/176775784.db2.gz CMRMSYHVJVYITI-BYPYZUCNSA-N 0 3 218.615 2.407 10 5 BEBEHN C[C@H]1CCCN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050791645 177109991 /nfs/dbraw/zinc/10/99/91/177109991.db2.gz YHAWMLRBHFLBRO-VIFPVBQESA-N 0 3 235.287 2.161 10 5 BEBEHN C[C@H]1C[C@@H]1CN(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413791 177342524 /nfs/dbraw/zinc/34/25/24/177342524.db2.gz FDYGUTHIVHXYAW-GXSJLCMTSA-N 0 3 249.314 2.265 10 5 BEBEHN C[C@H]1C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000052272263 177385258 /nfs/dbraw/zinc/38/52/58/177385258.db2.gz DEFZRTPVOWDTIY-GZMMTYOYSA-N 0 3 206.245 2.093 10 5 BEBEHN C[C@H]1C[C@H]1NCc1cc(F)ccc1[N+](=O)[O-] ZINC000052278684 177385613 /nfs/dbraw/zinc/38/56/13/177385613.db2.gz VEGISBHSGYZWGJ-OIBJUYFYSA-N 0 3 224.235 2.232 10 5 BEBEHN NCc1c(CN2CCCCC2)cccc1[N+](=O)[O-] ZINC000165017444 343115001 /nfs/dbraw/zinc/11/50/01/343115001.db2.gz SLANWFIFVHLEQG-UHFFFAOYSA-N 0 3 249.314 2.039 10 5 BEBEHN CC1(C)C[C@@H](N)c2cc([N+](=O)[O-])ccc2O1 ZINC000011848990 345033988 /nfs/dbraw/zinc/03/39/88/345033988.db2.gz YICIWICNCXJAPO-SECBINFHSA-N 0 3 222.244 2.156 10 5 BEBEHN NCc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000238684565 345109344 /nfs/dbraw/zinc/10/93/44/345109344.db2.gz CLWJHBCSYMYLFP-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000306838773 351149274 /nfs/dbraw/zinc/14/92/74/351149274.db2.gz XQGJKQVNKZSMLN-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1cc(CN)c(Cl)cc1[N+](=O)[O-] ZINC000306825296 351135125 /nfs/dbraw/zinc/13/51/25/351135125.db2.gz XNASQLFBLMVPDB-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc(Cl)cc([N+](=O)[O-])c1CN ZINC000307041042 351443772 /nfs/dbraw/zinc/44/37/72/351443772.db2.gz NPYZCTTUHSQVOT-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc(Cl)c([N+](=O)[O-])cc1CN ZINC000307112210 351484997 /nfs/dbraw/zinc/48/49/97/351484997.db2.gz PHAWZJLBNSQEML-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc(Cl)cc(CN)c1[N+](=O)[O-] ZINC000307638586 352726573 /nfs/dbraw/zinc/72/65/73/352726573.db2.gz YEMYQYVAUDUKAA-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN O=[N+]([O-])[C@]1(c2ccccc2)CC[C@H]2CCCN2C1 ZINC000114691997 368948340 /nfs/dbraw/zinc/94/83/40/368948340.db2.gz DDXFLZNPVAJFQN-ZIAGYGMSSA-N 0 3 246.310 2.417 10 5 BEBEHN O=[N+]([O-])C1COc2ccc3ccccc3c2C1 ZINC000038813244 372778998 /nfs/dbraw/zinc/77/89/98/372778998.db2.gz WGXALWJMEKYERY-SNVBAGLBSA-N 0 3 229.235 2.420 10 5 BEBEHN O=[N+]([O-])C1COc2ccc3ccccc3c2C1 ZINC000038813243 372779120 /nfs/dbraw/zinc/77/91/20/372779120.db2.gz WGXALWJMEKYERY-JTQLQIEISA-N 0 3 229.235 2.420 10 5 BEBEHN CCN1CCC[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000041066812 374102040 /nfs/dbraw/zinc/10/20/40/374102040.db2.gz JAHIZHQCWWWIRH-LLVKDONJSA-N 0 3 249.314 2.491 10 5 BEBEHN Cc1c(Cl)ccc(CN)c1[N+](=O)[O-] ZINC000307427937 386650329 /nfs/dbraw/zinc/65/03/29/386650329.db2.gz HJHKYVNBMGBLJE-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CCOCCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000036228919 387883356 /nfs/dbraw/zinc/88/33/56/387883356.db2.gz PPAGAFVWTSUWHR-SNVBAGLBSA-N 0 3 238.287 2.282 10 5 BEBEHN CNCc1ccc([N+](=O)[O-])cc1Br ZINC000037460563 388850989 /nfs/dbraw/zinc/85/09/89/388850989.db2.gz RXEREOGKXLLNOG-UHFFFAOYSA-N 0 3 245.076 2.077 10 5 BEBEHN CCN1CC[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000336885715 170021720 /nfs/dbraw/zinc/02/17/20/170021720.db2.gz AVXREGHUXGVUCC-NSHDSACASA-N 0 3 249.314 2.409 10 5 BEBEHN CCN1CC[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000328196158 170021908 /nfs/dbraw/zinc/02/19/08/170021908.db2.gz QPKGTZPTVJQIKL-LBPRGKRZSA-N 0 3 249.314 2.409 10 5 BEBEHN CCNCc1c[nH]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000062821023 170124397 /nfs/dbraw/zinc/12/43/97/170124397.db2.gz ZMTPMVQKDQKISD-UHFFFAOYSA-N 0 3 246.270 2.094 10 5 BEBEHN CC[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1 ZINC000013687088 171143653 /nfs/dbraw/zinc/14/36/53/171143653.db2.gz AAGIHBVMVXKWCJ-SNVBAGLBSA-N 0 3 206.245 2.019 10 5 BEBEHN CCn1c(N)ncc1-c1ccc([N+](=O)[O-])cc1 ZINC000039320402 172130549 /nfs/dbraw/zinc/13/05/49/172130549.db2.gz ZCUXVPCIAOLUJP-UHFFFAOYSA-N 0 3 232.243 2.060 10 5 BEBEHN CNCc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000003710583 173395587 /nfs/dbraw/zinc/39/55/87/173395587.db2.gz ZWPZXIGFXJAVTK-UHFFFAOYSA-N 0 3 249.295 2.438 10 5 BEBEHN C[C@H]1C[C@H]1CN(C)Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000104413800 177379205 /nfs/dbraw/zinc/37/92/05/177379205.db2.gz FDYGUTHIVHXYAW-ONGXEEELSA-N 0 3 249.314 2.265 10 5 BEBEHN CC[C@@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@@H]1N ZINC000757175732 582552834 /nfs/dbraw/zinc/55/28/34/582552834.db2.gz JMEQSMXNRBCFSM-UWVGGRQHSA-N 0 3 222.244 2.074 10 5 BEBEHN CC[C@@H]1Oc2c(cc(C)cc2[N+](=O)[O-])[C@@H]1N ZINC000757175542 586433202 /nfs/dbraw/zinc/43/32/02/586433202.db2.gz AOGQOXWLBYYVRD-UWVGGRQHSA-N 0 3 222.244 2.074 10 5 BEBEHN CC[C@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@@H]1N ZINC000757176044 586433417 /nfs/dbraw/zinc/43/34/17/586433417.db2.gz WJUZYETTWUEGKU-PSASIEDQSA-N 0 3 222.244 2.074 10 5 BEBEHN Cc1c(Cl)c(CN)ccc1[N+](=O)[O-] ZINC000307439718 398167052 /nfs/dbraw/zinc/16/70/52/398167052.db2.gz VTLVKUWMXMHALM-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CN(C)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000082238985 344706906 /nfs/dbraw/zinc/70/69/06/344706906.db2.gz XZEUIRORHFCWOQ-UHFFFAOYSA-N 0 3 244.678 2.189 10 5 BEBEHN CC(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2CN1 ZINC000013687096 187481545 /nfs/dbraw/zinc/48/15/45/187481545.db2.gz PUNSQJRRQYAGFC-LBPRGKRZSA-N 0 3 220.272 2.265 10 5 BEBEHN Cc1cc(CN)c([N+](=O)[O-])cc1Cl ZINC000307038662 351436234 /nfs/dbraw/zinc/43/62/34/351436234.db2.gz GKCRNQSSCUCCDA-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1ccc([N+](=O)[O-])c(CN)c1Br ZINC000307054557 351454069 /nfs/dbraw/zinc/45/40/69/351454069.db2.gz RLDOWLLWOQEHRA-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN O=[N+]([O-])c1ccc2c(c1)CCNC21CCC1 ZINC000498036798 352570455 /nfs/dbraw/zinc/57/04/55/352570455.db2.gz ZIYOIBQBJVLJTQ-UHFFFAOYSA-N 0 3 218.256 2.120 10 5 BEBEHN Cc1ccc([N+](=O)[O-])c(Cl)c1CN ZINC000307563775 352652454 /nfs/dbraw/zinc/65/24/54/352652454.db2.gz XVOSZSUGVBLYKO-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN Cc1cc(CN)c([N+](=O)[O-])cc1Br ZINC000306609582 353029494 /nfs/dbraw/zinc/02/94/94/353029494.db2.gz YTESMLXNNIAPBI-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN N[C@@H](CCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000575439126 387121103 /nfs/dbraw/zinc/12/11/03/387121103.db2.gz PZQBRAPNHFZQLV-QMMMGPOBSA-N 0 3 216.187 2.093 10 5 BEBEHN CC(C)N1CC[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000044572645 167026118 /nfs/dbraw/zinc/02/61/18/167026118.db2.gz WDTNMMNMYKUPGF-NSHDSACASA-N 0 3 249.314 2.489 10 5 BEBEHN CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000328196156 170014454 /nfs/dbraw/zinc/01/44/54/170014454.db2.gz QPKGTZPTVJQIKL-GFCCVEGCSA-N 0 3 249.314 2.409 10 5 BEBEHN CCNCc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000035414714 170125184 /nfs/dbraw/zinc/12/51/84/170125184.db2.gz AJBUNGPDNQJTCL-UHFFFAOYSA-N 0 3 238.287 2.492 10 5 BEBEHN CNCc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000036765273 173387088 /nfs/dbraw/zinc/38/70/88/173387088.db2.gz SNFACVNMLLHQFV-UHFFFAOYSA-N 0 3 236.271 2.103 10 5 BEBEHN COc1ccc([N+](=O)[O-])cc1CNC1CCC1 ZINC000052210493 175200999 /nfs/dbraw/zinc/20/09/99/175200999.db2.gz CPQWBKQLPSWFNM-UHFFFAOYSA-N 0 3 236.271 2.246 10 5 BEBEHN C[C@H]1CN(C)[C@@H](C)c2cc([N+](=O)[O-])[nH]c21 ZINC000027655854 177239585 /nfs/dbraw/zinc/23/95/85/177239585.db2.gz LODCSLMIKARQSW-BQBZGAKWSA-N 0 3 209.249 2.033 10 5 BEBEHN CC[C@H]1Oc2c(cc([N+](=O)[O-])cc2C)[C@H]1N ZINC000757175731 582553079 /nfs/dbraw/zinc/55/30/79/582553079.db2.gz JMEQSMXNRBCFSM-NXEZZACHSA-N 0 3 222.244 2.074 10 5 BEBEHN O=[N+]([O-])c1ccc(Cl)c([C@H]2CCN2)c1 ZINC000044257431 344996260 /nfs/dbraw/zinc/99/62/60/344996260.db2.gz WGDIPMDEJSCHCA-SECBINFHSA-N 0 3 212.636 2.283 10 5 BEBEHN Cc1ccc(CN)c([N+](=O)[O-])c1Cl ZINC000306950625 351375226 /nfs/dbraw/zinc/37/52/26/351375226.db2.gz ZOQBLQHLTCIRQK-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN CC(C)(N)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000306235593 359393708 /nfs/dbraw/zinc/39/37/08/359393708.db2.gz OBPOJFJEHXCIBG-UHFFFAOYSA-N 0 3 214.652 2.442 10 5 BEBEHN Cc1ccc([N+](=O)[O-])c(CN)c1Cl ZINC000306515845 360343223 /nfs/dbraw/zinc/34/32/23/360343223.db2.gz AEJGBNJUVSZTQV-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN NC1(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000306566312 360449083 /nfs/dbraw/zinc/44/90/83/360449083.db2.gz SLCYYKMMWMQXBL-UHFFFAOYSA-N 0 3 212.636 2.196 10 5 BEBEHN Cc1cc(Cl)c([N+](=O)[O-])c(CN)c1 ZINC000306600033 360520491 /nfs/dbraw/zinc/52/04/91/360520491.db2.gz IKJSSNRIAVKHBO-UHFFFAOYSA-N 0 3 200.625 2.015 10 5 BEBEHN O=[N+]([O-])[C@@]1(c2ccccc2)CC[C@H]2CCCN2C1 ZINC000114691999 368947948 /nfs/dbraw/zinc/94/79/48/368947948.db2.gz DDXFLZNPVAJFQN-KGLIPLIRSA-N 0 3 246.310 2.417 10 5 BEBEHN COC[C@H](C)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020525957 371288038 /nfs/dbraw/zinc/28/80/38/371288038.db2.gz UPNFPCHUOHIMSO-UWVGGRQHSA-N 0 3 238.287 2.280 10 5 BEBEHN C[C@@H](NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000034963846 385628960 /nfs/dbraw/zinc/62/89/60/385628960.db2.gz IDYVJAXTCVMBIY-MRVPVSSYSA-N 0 3 206.245 2.408 10 5 BEBEHN N[C@H](CC(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575437759 387111327 /nfs/dbraw/zinc/11/13/27/387111327.db2.gz SRYGJJDDDAUPKJ-SSDOTTSWSA-N 0 3 234.177 2.389 10 5 BEBEHN NCc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040999561 388430018 /nfs/dbraw/zinc/43/00/18/388430018.db2.gz UPBIUYDNFSTJIA-UHFFFAOYSA-N 0 3 235.268 2.177 10 5 BEBEHN CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082829132 170125178 /nfs/dbraw/zinc/12/51/78/170125178.db2.gz QFZIMPMTYWFJSU-UHFFFAOYSA-N 0 3 214.652 2.358 10 5 BEBEHN C[C@@H](N)c1cccc(Cl)c1[N+](=O)[O-] ZINC000083591707 175818298 /nfs/dbraw/zinc/81/82/98/175818298.db2.gz XUBVNIGSYHMTKK-RXMQYKEDSA-N 0 3 200.625 2.268 10 5 BEBEHN NCc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000306670813 350816813 /nfs/dbraw/zinc/81/68/13/350816813.db2.gz DXFUAGPRJUUVEL-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN Cc1c(Br)cc(CN)cc1[N+](=O)[O-] ZINC000306700066 350848726 /nfs/dbraw/zinc/84/87/26/350848726.db2.gz YDKWRRDXXGORDB-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1ccc(CN)c(Br)c1[N+](=O)[O-] ZINC000306762424 350989234 /nfs/dbraw/zinc/98/92/34/350989234.db2.gz XWIQRHPXTDDVHW-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN NCc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000306915111 351328041 /nfs/dbraw/zinc/32/80/41/351328041.db2.gz UBYZJSFGPUPYMH-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN NCc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000307520213 352633648 /nfs/dbraw/zinc/63/36/48/352633648.db2.gz XIIYGDDEOZGTGN-UHFFFAOYSA-N 0 3 221.043 2.360 10 5 BEBEHN NCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000044249897 384542303 /nfs/dbraw/zinc/54/23/03/384542303.db2.gz ACRLXSLKDHUZGC-UHFFFAOYSA-N 0 3 220.150 2.072 10 5 BEBEHN N[C@H](CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000575437292 387107057 /nfs/dbraw/zinc/10/70/57/387107057.db2.gz CLMJATDJGOYLCM-MRVPVSSYSA-N 0 3 216.187 2.250 10 5 BEBEHN N[C@@H](CC(F)F)c1ccc(F)c([N+](=O)[O-])c1 ZINC000575437760 387110780 /nfs/dbraw/zinc/11/07/80/387110780.db2.gz SRYGJJDDDAUPKJ-ZETCQYMHSA-N 0 3 234.177 2.389 10 5 BEBEHN N[C@H](CCF)c1cc(F)ccc1[N+](=O)[O-] ZINC000575438240 387113366 /nfs/dbraw/zinc/11/33/66/387113366.db2.gz FUISUXJSXUHICN-MRVPVSSYSA-N 0 3 216.187 2.093 10 5 BEBEHN Cc1ccc(N2C[C@H](C)NC[C@H]2C)c([N+](=O)[O-])c1 ZINC000250971312 132303849 /nfs/dbraw/zinc/30/38/49/132303849.db2.gz AYFWESCZVYCQEB-WDEREUQCSA-N 0 3 249.314 2.090 10 5 BEBEHN Cc1cc(CN)cc(Br)c1[N+](=O)[O-] ZINC000307134142 397986500 /nfs/dbraw/zinc/98/65/00/397986500.db2.gz ZWHIBMNIPPMLDG-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN CC(C)NCc1cc(F)ccc1[N+](=O)[O-] ZINC000035307923 167117191 /nfs/dbraw/zinc/11/71/91/167117191.db2.gz DKHYONHCAYCEDA-UHFFFAOYSA-N 0 3 212.224 2.232 10 5 BEBEHN CCN1CC[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000328191712 170022925 /nfs/dbraw/zinc/02/29/25/170022925.db2.gz PPBWJSMVNNLXKZ-NSHDSACASA-N 0 3 249.314 2.409 10 5 BEBEHN CCNCc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000006385334 170125593 /nfs/dbraw/zinc/12/55/93/170125593.db2.gz MARLMDUKNXOVCF-UHFFFAOYSA-N 0 3 214.652 2.358 10 5 BEBEHN C[C@H](N)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000083591718 176774820 /nfs/dbraw/zinc/77/48/20/176774820.db2.gz YSHNSKREVGSQBV-YFKPBYRVSA-N 0 3 200.625 2.268 10 5 BEBEHN C[C@H]1C[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412212 177342055 /nfs/dbraw/zinc/34/20/55/177342055.db2.gz AXZSESKITPVNCQ-VHSXEESVSA-N 0 3 249.314 2.265 10 5 BEBEHN CC[C@H]1Oc2c(c(C)ccc2[N+](=O)[O-])[C@H]1N ZINC000757176046 586433456 /nfs/dbraw/zinc/43/34/56/586433456.db2.gz WJUZYETTWUEGKU-SCZZXKLOSA-N 0 3 222.244 2.074 10 5 BEBEHN Cc1cc(CN)c(Br)c([N+](=O)[O-])c1 ZINC000307633460 398137882 /nfs/dbraw/zinc/13/78/82/398137882.db2.gz NZAJAOKDLSCEEA-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN Cc1ccc(Br)c(CN)c1[N+](=O)[O-] ZINC000307015009 351422900 /nfs/dbraw/zinc/42/29/00/351422900.db2.gz SZNPEPRPVYMJDH-UHFFFAOYSA-N 0 3 245.076 2.124 10 5 BEBEHN CN1CC=C(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116781113 368343134 /nfs/dbraw/zinc/34/31/34/368343134.db2.gz BUFCNFXRGDNPBC-UHFFFAOYSA-N 0 3 232.283 2.399 10 5 BEBEHN CCCNCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000083366730 169268450 /nfs/dbraw/zinc/26/84/50/169268450.db2.gz PPIKBFULEDSMIP-UHFFFAOYSA-N 0 3 239.231 2.003 10 5 BEBEHN C[C@@H]1NCC2(CC2)c2ccc([N+](=O)[O-])cc21 ZINC000575434089 387058676 /nfs/dbraw/zinc/05/86/76/387058676.db2.gz IZADRDLPUNDXTG-QMMMGPOBSA-N 0 3 218.256 2.291 10 5 BEBEHN N[C@@H](CCF)c1cc([N+](=O)[O-])ccc1F ZINC000575438504 387131516 /nfs/dbraw/zinc/13/15/16/387131516.db2.gz JQTKRBIUUFHNPM-VIFPVBQESA-N 0 3 216.187 2.093 10 5 BEBEHN N[C@@H](CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000575438662 387131611 /nfs/dbraw/zinc/13/16/11/387131611.db2.gz MTMVCWXLKIUPMX-ZETCQYMHSA-N 0 3 216.187 2.250 10 5 BEBEHN N[C@@H](CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000575437814 387110729 /nfs/dbraw/zinc/11/07/29/387110729.db2.gz VJSCUISSDGXZFZ-ZETCQYMHSA-N 0 3 234.177 2.389 10 5 BEBEHN CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000328455390 170022352 /nfs/dbraw/zinc/02/23/52/170022352.db2.gz FEKCXEOBXBCTQF-NSHDSACASA-N 0 3 235.287 2.101 10 5 BEBEHN C[C@@H]1CCCN1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050791644 176108474 /nfs/dbraw/zinc/10/84/74/176108474.db2.gz YHAWMLRBHFLBRO-SECBINFHSA-N 0 3 235.287 2.161 10 5 BEBEHN C[C@@H]1C[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1N ZINC000104412209 176391813 /nfs/dbraw/zinc/39/18/13/176391813.db2.gz AXZSESKITPVNCQ-NXEZZACHSA-N 0 3 249.314 2.265 10 5 BEBEHN