smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000009329133 555100016 /nfs/dbraw/zinc/10/00/16/555100016.db2.gz QJYFDCKLGAXMGP-CROMWVBPSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000009329133 555100018 /nfs/dbraw/zinc/10/00/18/555100018.db2.gz QJYFDCKLGAXMGP-CROMWVBPSA-N 1 1 450.426 2.474 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(C)cc21 ZINC000009411169 555178466 /nfs/dbraw/zinc/17/84/66/555178466.db2.gz UKIMYBMMSAINOY-QJHDXQOESA-N 1 1 462.462 2.343 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cccc2C ZINC000016001947 556107331 /nfs/dbraw/zinc/10/73/31/556107331.db2.gz PENSRQGJEMXDOL-BKJGLDIHSA-N 1 1 462.462 2.343 40 5 JEBBMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 ZINC000030864644 556382959 /nfs/dbraw/zinc/38/29/59/556382959.db2.gz QWRBUMBTPGKOFU-UHFFFAOYSA-N 1 1 457.512 2.480 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224745706 569955797 /nfs/dbraw/zinc/95/57/97/569955797.db2.gz HNLDJUBXVQWHEM-SFHVURJKSA-N 1 1 490.582 2.206 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@H+]1CCC[C@@H]21 ZINC000009357544 555122490 /nfs/dbraw/zinc/12/24/90/555122490.db2.gz YDSDGRPYRSJFHX-KEXUJGGDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@@H+]1CCC[C@@H]21 ZINC000009357544 555122492 /nfs/dbraw/zinc/12/24/92/555122492.db2.gz YDSDGRPYRSJFHX-KEXUJGGDSA-N 1 1 450.426 2.474 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000015999008 556103974 /nfs/dbraw/zinc/10/39/74/556103974.db2.gz UKIMYBMMSAINOY-YBNJHJSASA-N 1 1 462.462 2.343 40 5 JEBBMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035840382 569713811 /nfs/dbraw/zinc/71/38/11/569713811.db2.gz CUMJHSMWEYUXTD-UFRIGAJXSA-N 1 1 478.461 2.043 40 5 JEBBMO COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035840382 569713812 /nfs/dbraw/zinc/71/38/12/569713812.db2.gz CUMJHSMWEYUXTD-UFRIGAJXSA-N 1 1 478.461 2.043 40 5 JEBBMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224747939 569955850 /nfs/dbraw/zinc/95/58/50/569955850.db2.gz MDWXHTSBOMQMSI-JOCHJYFZSA-N 1 1 490.582 2.288 40 5 JEBBMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224747891 569955872 /nfs/dbraw/zinc/95/58/72/569955872.db2.gz MDWXHTSBOMQMSI-QFIPXVFZSA-N 1 1 490.582 2.288 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000103552304 569836094 /nfs/dbraw/zinc/83/60/94/569836094.db2.gz PENSRQGJEMXDOL-JQGROFRJSA-N 1 1 462.462 2.343 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104006565 569839905 /nfs/dbraw/zinc/83/99/05/569839905.db2.gz YXHHOQGOVZDCFY-YQYRJILISA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104006565 569839906 /nfs/dbraw/zinc/83/99/06/569839906.db2.gz YXHHOQGOVZDCFY-YQYRJILISA-N 1 1 450.426 2.474 40 5 JEBBMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000409325491 570202054 /nfs/dbraw/zinc/20/20/54/570202054.db2.gz YZFUAJGGGCZBJN-UHFFFAOYSA-N 1 1 476.555 2.271 40 5 JEBBMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000009327737 555098378 /nfs/dbraw/zinc/09/83/78/555098378.db2.gz CUMJHSMWEYUXTD-QJHDXQOESA-N 1 1 478.461 2.043 40 5 JEBBMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000009327737 555098380 /nfs/dbraw/zinc/09/83/80/555098380.db2.gz CUMJHSMWEYUXTD-QJHDXQOESA-N 1 1 478.461 2.043 40 5 JEBBMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21 ZINC000035840386 569713734 /nfs/dbraw/zinc/71/37/34/569713734.db2.gz CUMJHSMWEYUXTD-YBNJHJSASA-N 1 1 478.461 2.043 40 5 JEBBMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000035840386 569713736 /nfs/dbraw/zinc/71/37/36/569713736.db2.gz CUMJHSMWEYUXTD-YBNJHJSASA-N 1 1 478.461 2.043 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000035844172 569714832 /nfs/dbraw/zinc/71/48/32/569714832.db2.gz UZULCSSVBFAWMU-ZHNFZGJGSA-N 1 1 462.462 2.343 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000104014704 569839893 /nfs/dbraw/zinc/83/98/93/569839893.db2.gz UZULCSSVBFAWMU-JSAFQYNZSA-N 1 1 462.462 2.343 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@H+]1CCC[C@@H]21 ZINC000104006561 569839918 /nfs/dbraw/zinc/83/99/18/569839918.db2.gz YXHHOQGOVZDCFY-YRAONVGVSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@@H+]1CCC[C@@H]21 ZINC000104006561 569839919 /nfs/dbraw/zinc/83/99/19/569839919.db2.gz YXHHOQGOVZDCFY-YRAONVGVSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@H+]1CCC[C@@H]21 ZINC000009329132 555100009 /nfs/dbraw/zinc/10/00/09/555100009.db2.gz QJYFDCKLGAXMGP-KEXUJGGDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(F)cc31)[N@@H+]1CCC[C@@H]21 ZINC000009329132 555100011 /nfs/dbraw/zinc/10/00/11/555100011.db2.gz QJYFDCKLGAXMGP-KEXUJGGDSA-N 1 1 450.426 2.474 40 5 JEBBMO COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-] ZINC000035851758 569716599 /nfs/dbraw/zinc/71/65/99/569716599.db2.gz QJMTVDYYNXWLHH-BNVGKWPLSA-N 1 1 480.452 2.482 40 5 JEBBMO COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c(C)cc1[N+](=O)[O-] ZINC000035851758 569716600 /nfs/dbraw/zinc/71/66/00/569716600.db2.gz QJMTVDYYNXWLHH-BNVGKWPLSA-N 1 1 480.452 2.482 40 5 JEBBMO COc1ccc(Cn2ccc3nc4ccn(CCC[NH+]5CCOCC5)c(=O)c4cc3c2=O)cc1 ZINC000040398795 569825966 /nfs/dbraw/zinc/82/59/66/569825966.db2.gz JLCZCEKPUHTXPX-UHFFFAOYSA-N 1 1 460.534 2.491 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000009361427 555123961 /nfs/dbraw/zinc/12/39/61/555123961.db2.gz UKIMYBMMSAINOY-UFRIGAJXSA-N 1 1 462.462 2.343 40 5 JEBBMO O=C(C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000013563298 555498170 /nfs/dbraw/zinc/49/81/70/555498170.db2.gz JAFXAZHDSVWNRZ-UHFFFAOYSA-N 1 1 472.567 2.340 40 5 JEBBMO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033912881 569637456 /nfs/dbraw/zinc/63/74/56/569637456.db2.gz QJYFDCKLGAXMGP-GKAYAJSDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1c([N+](=O)[O-])cccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033912881 569637458 /nfs/dbraw/zinc/63/74/58/569637458.db2.gz QJYFDCKLGAXMGP-GKAYAJSDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000035889658 569721555 /nfs/dbraw/zinc/72/15/55/569721555.db2.gz YXHHOQGOVZDCFY-ZQDYSYBYSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000035889658 569721558 /nfs/dbraw/zinc/72/15/58/569721558.db2.gz YXHHOQGOVZDCFY-ZQDYSYBYSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O ZINC000020451625 527384842 /nfs/dbraw/zinc/38/48/42/527384842.db2.gz CVBHYCDEEMQCHO-UHFFFAOYSA-N 1 1 457.512 2.480 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@]21C(=O)Nc2ccc(C)cc21 ZINC000016001992 556107232 /nfs/dbraw/zinc/10/72/32/556107232.db2.gz UZULCSSVBFAWMU-HMSHQKHKSA-N 1 1 462.462 2.343 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(C)cc21 ZINC000035843138 569714153 /nfs/dbraw/zinc/71/41/53/569714153.db2.gz UKIMYBMMSAINOY-AYFLJRIOSA-N 1 1 462.462 2.343 40 5 JEBBMO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000224582396 569949463 /nfs/dbraw/zinc/94/94/63/569949463.db2.gz BUYUZMBXLGYWMU-UHFFFAOYSA-N 1 1 490.582 2.290 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000260895028 570162338 /nfs/dbraw/zinc/16/23/38/570162338.db2.gz HNLDJUBXVQWHEM-GOSISDBHSA-N 1 1 490.582 2.206 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(C)(=O)=O ZINC000022532545 525464269 /nfs/dbraw/zinc/46/42/69/525464269.db2.gz VZPTZBRHBNPXSI-UHFFFAOYSA-N 1 1 473.511 2.180 40 5 JEBBMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000224749188 569955913 /nfs/dbraw/zinc/95/59/13/569955913.db2.gz BDIFLHLTEGNCCS-UHFFFAOYSA-N 1 1 490.582 2.290 40 5 JEBBMO COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(C)(=O)=O ZINC000044838954 525463166 /nfs/dbraw/zinc/46/31/66/525463166.db2.gz FOCJXZMPPRDLQV-UHFFFAOYSA-N 1 1 473.511 2.180 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cccc2C ZINC000009358434 555122701 /nfs/dbraw/zinc/12/27/01/555122701.db2.gz PENSRQGJEMXDOL-SYSFZUQMSA-N 1 1 462.462 2.343 40 5 JEBBMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000009350123 555116864 /nfs/dbraw/zinc/11/68/64/555116864.db2.gz KAWNYORZUKCAHC-YQYRJILISA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000009350123 555116865 /nfs/dbraw/zinc/11/68/65/555116865.db2.gz KAWNYORZUKCAHC-YQYRJILISA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033917058 569637559 /nfs/dbraw/zinc/63/75/59/569637559.db2.gz YDSDGRPYRSJFHX-GKAYAJSDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O ZINC000033917058 569637560 /nfs/dbraw/zinc/63/75/60/569637560.db2.gz YDSDGRPYRSJFHX-GKAYAJSDSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000034701841 569649201 /nfs/dbraw/zinc/64/92/01/569649201.db2.gz KAWNYORZUKCAHC-ZQDYSYBYSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000034701841 569649202 /nfs/dbraw/zinc/64/92/02/569649202.db2.gz KAWNYORZUKCAHC-ZQDYSYBYSA-N 1 1 450.426 2.474 40 5 JEBBMO COc1cc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000095482625 569725034 /nfs/dbraw/zinc/72/50/34/569725034.db2.gz QJMTVDYYNXWLHH-BBOHXYNISA-N 1 1 480.452 2.482 40 5 JEBBMO COc1cc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c(C)cc1[N+](=O)[O-] ZINC000095482625 569725035 /nfs/dbraw/zinc/72/50/35/569725035.db2.gz QJMTVDYYNXWLHH-BBOHXYNISA-N 1 1 480.452 2.482 40 5 JEBBMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000009350122 555116857 /nfs/dbraw/zinc/11/68/57/555116857.db2.gz KAWNYORZUKCAHC-YRAONVGVSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000009350122 555116859 /nfs/dbraw/zinc/11/68/59/555116859.db2.gz KAWNYORZUKCAHC-YRAONVGVSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224578624 569949261 /nfs/dbraw/zinc/94/92/61/569949261.db2.gz KYUHHVRGCVBALF-SFHVURJKSA-N 1 1 490.582 2.206 40 5 JEBBMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224581026 569949409 /nfs/dbraw/zinc/94/94/09/569949409.db2.gz FNEYORGUGJBGTQ-JOCHJYFZSA-N 1 1 490.582 2.288 40 5 JEBBMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000224580972 569949415 /nfs/dbraw/zinc/94/94/15/569949415.db2.gz FNEYORGUGJBGTQ-QFIPXVFZSA-N 1 1 490.582 2.288 40 5 JEBBMO Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000260888275 570161761 /nfs/dbraw/zinc/16/17/61/570161761.db2.gz KYUHHVRGCVBALF-GOSISDBHSA-N 1 1 490.582 2.206 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cccc4C)[C@H]2C1=O ZINC000035844162 569714882 /nfs/dbraw/zinc/71/48/82/569714882.db2.gz PENSRQGJEMXDOL-VEBYGKHWSA-N 1 1 462.462 2.343 40 5 JEBBMO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000095482624 569725014 /nfs/dbraw/zinc/72/50/14/569725014.db2.gz QJMTVDYYNXWLHH-YTCTWSIISA-N 1 1 480.452 2.482 40 5 JEBBMO COc1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000095482624 569725016 /nfs/dbraw/zinc/72/50/16/569725016.db2.gz QJMTVDYYNXWLHH-YTCTWSIISA-N 1 1 480.452 2.482 40 5 JEBBMO COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@H]2C1=O ZINC000104014697 569839875 /nfs/dbraw/zinc/83/98/75/569839875.db2.gz UZULCSSVBFAWMU-AGFSROSKSA-N 1 1 462.462 2.343 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104050196 569840090 /nfs/dbraw/zinc/84/00/90/569840090.db2.gz YDSDGRPYRSJFHX-CROMWVBPSA-N 1 1 450.426 2.474 40 5 JEBBMO Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(F)cc21 ZINC000104050196 569840092 /nfs/dbraw/zinc/84/00/92/569840092.db2.gz YDSDGRPYRSJFHX-CROMWVBPSA-N 1 1 450.426 2.474 40 5 JEBBMO