smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)C[NH+]2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000000723890 219316986 /nfs/dbraw/zinc/31/69/86/219316986.db2.gz FNUOKXXTRZTJGG-UHFFFAOYSA-N 1 1 365.304 5.070 50 10 FKCAMO COc1cccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)c1OC ZINC000000789749 568229730 /nfs/dbraw/zinc/22/97/30/568229730.db2.gz IJVMLTFUDHYEFD-UHFFFAOYSA-N 1 1 365.477 5.171 50 10 FKCAMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)cc1OC ZINC000000789753 568229736 /nfs/dbraw/zinc/22/97/36/568229736.db2.gz NBJOYRIQSWANDD-UHFFFAOYSA-N 1 1 365.477 5.171 50 10 FKCAMO CCN(CC)c1ccc(CNc2ccc3c(c2)[nH+]cn3C(C)(C)C)cc1 ZINC000001062402 210311762 /nfs/dbraw/zinc/31/17/62/210311762.db2.gz DQSKIFMPIKSGEG-UHFFFAOYSA-N 1 1 350.510 5.250 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3cccc(F)c3)c(O)c2n1 ZINC000001168662 570486809 /nfs/dbraw/zinc/48/68/09/570486809.db2.gz GVZQVZRICYOVPZ-NRFANRHFSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3cccc(F)c3)c(O)c2n1 ZINC000001168663 570486857 /nfs/dbraw/zinc/48/68/57/570486857.db2.gz GVZQVZRICYOVPZ-OAQYLSRUSA-N 1 1 373.431 5.293 50 10 FKCAMO Clc1ccc(CNc2ccc3c(c2)[nH+]cn3C2CCCCC2)c(Cl)c1 ZINC000002343587 204035222 /nfs/dbraw/zinc/03/52/22/204035222.db2.gz ZENYVOXXXARMOO-UHFFFAOYSA-N 1 1 374.315 6.460 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccccc3C)c(O)c2n1 ZINC000002835117 570534806 /nfs/dbraw/zinc/53/48/06/570534806.db2.gz CJMZOSQIZSOMOE-QHCPKHFHSA-N 1 1 369.468 5.462 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccc3C)c(O)c2n1 ZINC000002835118 204060762 /nfs/dbraw/zinc/06/07/62/204060762.db2.gz CJMZOSQIZSOMOE-HSZRJFAPSA-N 1 1 369.468 5.462 50 10 FKCAMO CCc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000002874296 570541603 /nfs/dbraw/zinc/54/16/03/570541603.db2.gz BLRVDQSWWDLAAA-QFIPXVFZSA-N 1 1 369.468 5.408 50 10 FKCAMO CCc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000002874297 570541753 /nfs/dbraw/zinc/54/17/53/570541753.db2.gz BLRVDQSWWDLAAA-JOCHJYFZSA-N 1 1 369.468 5.408 50 10 FKCAMO Cc1cc[nH+]c(N[C@H](c2ccc3cccnc3c2O)c2cc(C)ccc2C)c1 ZINC000002882580 204065522 /nfs/dbraw/zinc/06/55/22/204065522.db2.gz MJOVUJAJAWRAIY-HSZRJFAPSA-N 1 1 369.468 5.462 50 10 FKCAMO Cc1cc[nH+]c(N[C@@H](c2ccc3cccnc3c2O)c2cc(C)ccc2C)c1 ZINC000002882581 204065537 /nfs/dbraw/zinc/06/55/37/204065537.db2.gz MJOVUJAJAWRAIY-QHCPKHFHSA-N 1 1 369.468 5.462 50 10 FKCAMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccccc3)CC1)oc1ccccc12 ZINC000003345430 571347931 /nfs/dbraw/zinc/34/79/31/571347931.db2.gz DSPBUHUVVQGIOC-UHFFFAOYSA-N 1 1 355.437 5.581 50 10 FKCAMO CCCCn1c[nH+]c2cc(NCc3ccc(Br)cc3)ccc21 ZINC000003907420 204116081 /nfs/dbraw/zinc/11/60/81/204116081.db2.gz ABOBQTGMUATMBO-UHFFFAOYSA-N 1 1 358.283 5.211 50 10 FKCAMO CCCCn1c[nH+]c2cc(NCc3cccc(Br)c3)ccc21 ZINC000003907435 571189080 /nfs/dbraw/zinc/18/90/80/571189080.db2.gz ZPCWWJJCHPBPEE-UHFFFAOYSA-N 1 1 358.283 5.211 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccccc3)c(O)c2n1 ZINC000004123968 204123880 /nfs/dbraw/zinc/12/38/80/204123880.db2.gz MORLPFADZVXVTF-NRFANRHFSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccc3)c(O)c2n1 ZINC000004123969 570577604 /nfs/dbraw/zinc/57/76/04/570577604.db2.gz MORLPFADZVXVTF-OAQYLSRUSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1cc[nH+]c(N[C@@H](c2ccccc2C)c2ccc3cccnc3c2O)c1 ZINC000004123972 570577765 /nfs/dbraw/zinc/57/77/65/570577765.db2.gz PZMILTQIKJUYDG-QFIPXVFZSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1cc[nH+]c(N[C@H](c2ccccc2C)c2ccc3cccnc3c2O)c1 ZINC000004123973 204123648 /nfs/dbraw/zinc/12/36/48/204123648.db2.gz PZMILTQIKJUYDG-JOCHJYFZSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1cc[nH+]c(N[C@@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004178169 207004451 /nfs/dbraw/zinc/00/44/51/207004451.db2.gz YTLGWADVUKISIA-IBGZPJMESA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1cc[nH+]c(N[C@H](c2ccsc2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004178171 570580273 /nfs/dbraw/zinc/58/02/73/570580273.db2.gz YTLGWADVUKISIA-LJQANCHMSA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1cc[nH+]c(N[C@@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004631192 207034685 /nfs/dbraw/zinc/03/46/85/207034685.db2.gz GNDZBZLEBPQIFG-NRFANRHFSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1cc[nH+]c(N[C@H](c2cccc(F)c2)c2ccc3ccc(C)nc3c2O)c1 ZINC000004631193 570598240 /nfs/dbraw/zinc/59/82/40/570598240.db2.gz GNDZBZLEBPQIFG-OAQYLSRUSA-N 1 1 373.431 5.293 50 10 FKCAMO CN(C)c1ccc(/C=C/C[N@@H+](CCc2ccccc2)Cc2ccccc2)cc1 ZINC000004980500 204181801 /nfs/dbraw/zinc/18/18/01/204181801.db2.gz YBBYTNOAKHXYCY-NTEUORMPSA-N 1 1 370.540 5.511 50 10 FKCAMO CC(C)(C)c1cc(C[N@H+]2CCc3ccccc3C2)c(O)c(C(C)(C)C)c1 ZINC000004987519 570616116 /nfs/dbraw/zinc/61/61/16/570616116.db2.gz BCTZXPGBQFHLRF-UHFFFAOYSA-N 1 1 351.534 5.546 50 10 FKCAMO CC[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000004988420 204183361 /nfs/dbraw/zinc/18/33/61/204183361.db2.gz ZYBBIRBXXBVIGL-UHFFFAOYSA-N 1 1 353.550 6.009 50 10 FKCAMO CC[NH+](CC)Cc1c2c(ccc1O)oc(C)c2C(=O)c1ccc(C)c(C)c1 ZINC000004990852 570616502 /nfs/dbraw/zinc/61/65/02/570616502.db2.gz IWUGRVSPBJRLPS-UHFFFAOYSA-N 1 1 365.473 5.136 50 10 FKCAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]3CCC1 ZINC000005032387 207073898 /nfs/dbraw/zinc/07/38/98/207073898.db2.gz NMGNBTNLLBPINX-XMMPIXPASA-N 1 1 373.544 5.299 50 10 FKCAMO Cc1ccc2c(c1)c1c3n2CCC[N@H+](Cc2ccc(N(C)C)cc2)[C@H]3CCC1 ZINC000005032390 204186167 /nfs/dbraw/zinc/18/61/67/204186167.db2.gz NMGNBTNLLBPINX-DEOSSOPVSA-N 1 1 373.544 5.299 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccc(F)cc3)c(O)c2n1 ZINC000005102422 570621174 /nfs/dbraw/zinc/62/11/74/570621174.db2.gz DGBXBTUKPYXYLT-NRFANRHFSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccc(F)cc3)c(O)c2n1 ZINC000005102423 204192341 /nfs/dbraw/zinc/19/23/41/204192341.db2.gz DGBXBTUKPYXYLT-OAQYLSRUSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccsc3)c(O)c2n1 ZINC000005900688 204229379 /nfs/dbraw/zinc/22/93/79/204229379.db2.gz XUADLNPKLQUVPV-IBGZPJMESA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccsc3)c(O)c2n1 ZINC000005900693 570638421 /nfs/dbraw/zinc/63/84/21/570638421.db2.gz XUADLNPKLQUVPV-LJQANCHMSA-N 1 1 361.470 5.215 50 10 FKCAMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007091982 204289595 /nfs/dbraw/zinc/28/95/95/204289595.db2.gz VYCPBPKHGMDUHT-LJQANCHMSA-N 1 1 360.482 5.492 50 10 FKCAMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000007091985 571260785 /nfs/dbraw/zinc/26/07/85/571260785.db2.gz VYCPBPKHGMDUHT-IBGZPJMESA-N 1 1 360.482 5.492 50 10 FKCAMO C[N@@H+](Cc1ccc(Br)s1)Cc1c(O)ccc2ccccc21 ZINC000008040357 571358632 /nfs/dbraw/zinc/35/86/32/571358632.db2.gz LJYJOXHMIYYDBV-UHFFFAOYSA-N 1 1 362.292 5.001 50 10 FKCAMO Oc1ccc(-c2nc3ccccc3s2)cc1C[NH2+]C1CCCCCC1 ZINC000011786677 570706815 /nfs/dbraw/zinc/70/68/15/570706815.db2.gz WSYWUNKWGJCEPG-UHFFFAOYSA-N 1 1 352.503 5.481 50 10 FKCAMO C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O ZINC000011913338 207329713 /nfs/dbraw/zinc/32/97/13/207329713.db2.gz YUVFHXMHAVVPMS-OAHLLOKOSA-N 1 1 366.892 5.635 50 10 FKCAMO C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccnc3cc(Cl)ccc32)ccc1O ZINC000011913339 570711293 /nfs/dbraw/zinc/71/12/93/570711293.db2.gz YUVFHXMHAVVPMS-HNNXBMFYSA-N 1 1 366.892 5.635 50 10 FKCAMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000012213737 570727967 /nfs/dbraw/zinc/72/79/67/570727967.db2.gz CKNCMGNXLGAVNT-UHFFFAOYSA-N 1 1 359.444 5.488 50 10 FKCAMO C[N@@H+](Cc1cccs1)Cc1c(O)ccc2cc(Br)ccc21 ZINC000014125203 570516797 /nfs/dbraw/zinc/51/67/97/570516797.db2.gz KVLNJXZXHDMBFC-UHFFFAOYSA-N 1 1 362.292 5.001 50 10 FKCAMO C[N@@H+](Cc1ccsc1)Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014882728 211104569 /nfs/dbraw/zinc/10/45/69/211104569.db2.gz HOXIPONFZMNJSI-UHFFFAOYSA-N 1 1 366.511 5.362 50 10 FKCAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014989550 570828507 /nfs/dbraw/zinc/82/85/07/570828507.db2.gz ICOJXYJVENTMSL-QGZVFWFLSA-N 1 1 352.503 5.433 50 10 FKCAMO CC[C@@H]1CCCC[N@@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014989550 570828506 /nfs/dbraw/zinc/82/85/06/570828506.db2.gz ICOJXYJVENTMSL-QGZVFWFLSA-N 1 1 352.503 5.433 50 10 FKCAMO CC[C@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014989552 570828417 /nfs/dbraw/zinc/82/84/17/570828417.db2.gz ICOJXYJVENTMSL-KRWDZBQOSA-N 1 1 352.503 5.433 50 10 FKCAMO CC[C@H]1CCCC[N@@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000014989552 570828415 /nfs/dbraw/zinc/82/84/15/570828415.db2.gz ICOJXYJVENTMSL-KRWDZBQOSA-N 1 1 352.503 5.433 50 10 FKCAMO Cc1ccc([C@@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000018173640 570876133 /nfs/dbraw/zinc/87/61/33/570876133.db2.gz KSUCEXYJUGNPFV-OAQYLSRUSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1ccc([C@H](Nc2cccc(C)[nH+]2)c2ccc3cccnc3c2O)cc1 ZINC000018173642 220226805 /nfs/dbraw/zinc/22/68/05/220226805.db2.gz KSUCEXYJUGNPFV-NRFANRHFSA-N 1 1 355.441 5.154 50 10 FKCAMO Cc1ccsc1[C@@H](Nc1cc(C)cc[nH+]1)c1ccc2cccnc2c1O ZINC000018173644 570876111 /nfs/dbraw/zinc/87/61/11/570876111.db2.gz HMRFJTICBMUXDH-IBGZPJMESA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1ccsc1[C@H](Nc1cc(C)cc[nH+]1)c1ccc2cccnc2c1O ZINC000018173646 220226822 /nfs/dbraw/zinc/22/68/22/220226822.db2.gz HMRFJTICBMUXDH-LJQANCHMSA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1ccc2ccc([C@@H](Nc3cccc(C)[nH+]3)c3ccccc3F)c(O)c2n1 ZINC000018190076 570876185 /nfs/dbraw/zinc/87/61/85/570876185.db2.gz RDBINMITTVTLBK-QFIPXVFZSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1ccc2ccc([C@H](Nc3cccc(C)[nH+]3)c3ccccc3F)c(O)c2n1 ZINC000018190078 211193428 /nfs/dbraw/zinc/19/34/28/211193428.db2.gz RDBINMITTVTLBK-JOCHJYFZSA-N 1 1 373.431 5.293 50 10 FKCAMO Cc1ccc([C@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)s1 ZINC000019238209 220243425 /nfs/dbraw/zinc/24/34/25/220243425.db2.gz WPGYFHBGCWURBF-HXUWFJFHSA-N 1 1 361.470 5.215 50 10 FKCAMO Cc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3cccnc3c2O)s1 ZINC000019238210 220243505 /nfs/dbraw/zinc/24/35/05/220243505.db2.gz WPGYFHBGCWURBF-FQEVSTJZSA-N 1 1 361.470 5.215 50 10 FKCAMO Oc1c(C[NH+]2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12 ZINC000019789784 206327365 /nfs/dbraw/zinc/32/73/65/206327365.db2.gz JFXFJCSTHMEVJY-UHFFFAOYSA-N 1 1 366.892 5.049 50 10 FKCAMO Oc1ccc(-c2nc3ccccc3s2)cc1C[N@H+]1CCc2ccccc2C1 ZINC000020999713 211302590 /nfs/dbraw/zinc/30/25/90/211302590.db2.gz QUMPXWVTPKKPBT-UHFFFAOYSA-N 1 1 372.493 5.227 50 10 FKCAMO Oc1c([C@H](c2ccccc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021486894 211314641 /nfs/dbraw/zinc/31/46/41/211314641.db2.gz QBXLCZDIUNZZPZ-FQEVSTJZSA-N 1 1 352.865 5.169 50 10 FKCAMO Oc1c([C@@H](c2ccccc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021486895 211314728 /nfs/dbraw/zinc/31/47/28/211314728.db2.gz QBXLCZDIUNZZPZ-HXUWFJFHSA-N 1 1 352.865 5.169 50 10 FKCAMO Oc1c([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540387 571334993 /nfs/dbraw/zinc/33/49/93/571334993.db2.gz JCVPXJKIBDXWSC-FQEVSTJZSA-N 1 1 370.855 5.308 50 10 FKCAMO Oc1c([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)cc(Cl)c2cccnc12 ZINC000021540390 571335020 /nfs/dbraw/zinc/33/50/20/571335020.db2.gz JCVPXJKIBDXWSC-HXUWFJFHSA-N 1 1 370.855 5.308 50 10 FKCAMO Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2O)[NH+]2CCCC2)cc1 ZINC000021673436 207777164 /nfs/dbraw/zinc/77/71/64/207777164.db2.gz KGZAULONWRUBNJ-HXUWFJFHSA-N 1 1 352.865 5.087 50 10 FKCAMO Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2O)[NH+]2CCCC2)cc1 ZINC000021673440 220362776 /nfs/dbraw/zinc/36/27/76/220362776.db2.gz KGZAULONWRUBNJ-FQEVSTJZSA-N 1 1 352.865 5.087 50 10 FKCAMO Oc1c([C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000023224583 571235550 /nfs/dbraw/zinc/23/55/50/571235550.db2.gz IPBPIXNLSBVMCK-IBGZPJMESA-N 1 1 373.283 5.432 50 10 FKCAMO Oc1c([C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)cc(Cl)c2cccnc12 ZINC000023224584 571235685 /nfs/dbraw/zinc/23/56/85/571235685.db2.gz IPBPIXNLSBVMCK-LJQANCHMSA-N 1 1 373.283 5.432 50 10 FKCAMO Oc1ccc(Br)cc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087160 571062024 /nfs/dbraw/zinc/06/20/24/571062024.db2.gz MDELHUOQUQHEAI-OAHLLOKOSA-N 1 1 366.324 5.334 50 10 FKCAMO Oc1ccc(Br)cc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087161 571062114 /nfs/dbraw/zinc/06/21/14/571062114.db2.gz MDELHUOQUQHEAI-HNNXBMFYSA-N 1 1 366.324 5.334 50 10 FKCAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(Cl)ccc2O)cc1 ZINC000036347272 571248829 /nfs/dbraw/zinc/24/88/29/571248829.db2.gz GQSSTKCVDYPSMB-JOCHJYFZSA-N 1 1 366.892 5.151 50 10 FKCAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(Cl)ccc2O)cc1 ZINC000036347273 205009677 /nfs/dbraw/zinc/00/96/77/205009677.db2.gz GQSSTKCVDYPSMB-QFIPXVFZSA-N 1 1 366.892 5.151 50 10 FKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2Cl)c1 ZINC000036347412 205010615 /nfs/dbraw/zinc/01/06/15/205010615.db2.gz KBURPJWQRWUELV-QFIPXVFZSA-N 1 1 366.892 5.151 50 10 FKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(Cl)cc2)c1 ZINC000036347467 205010018 /nfs/dbraw/zinc/01/00/18/205010018.db2.gz BXVPCZBSMXKSPA-JOCHJYFZSA-N 1 1 366.892 5.151 50 10 FKCAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000036348037 208154490 /nfs/dbraw/zinc/15/44/90/208154490.db2.gz CZYLGFWXRVEAKK-XMMPIXPASA-N 1 1 360.501 5.312 50 10 FKCAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000036348038 571249078 /nfs/dbraw/zinc/24/90/78/571249078.db2.gz CZYLGFWXRVEAKK-DEOSSOPVSA-N 1 1 360.501 5.312 50 10 FKCAMO CCc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000036348586 571248972 /nfs/dbraw/zinc/24/89/72/571248972.db2.gz BEYZOCUZNUHNCI-XMMPIXPASA-N 1 1 360.501 5.060 50 10 FKCAMO CCc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000036348587 571249104 /nfs/dbraw/zinc/24/91/04/571249104.db2.gz BEYZOCUZNUHNCI-DEOSSOPVSA-N 1 1 360.501 5.060 50 10 FKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000037523539 205028445 /nfs/dbraw/zinc/02/84/45/205028445.db2.gz IDPSQOUAIYWVAZ-DEOSSOPVSA-N 1 1 360.501 5.114 50 10 FKCAMO Cc1ccc(O)c(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1 ZINC000037523540 205028479 /nfs/dbraw/zinc/02/84/79/205028479.db2.gz IDPSQOUAIYWVAZ-XMMPIXPASA-N 1 1 360.501 5.114 50 10 FKCAMO CC1=C(N=Nc2ccccc2)C[C@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000252627977 571289176 /nfs/dbraw/zinc/28/91/76/571289176.db2.gz SFIAKTNOAHDQME-RUZDIDTESA-N 1 1 367.496 6.692 50 10 FKCAMO CC1=C(N=Nc2ccccc2)C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2)C1 ZINC000252627978 571289209 /nfs/dbraw/zinc/28/92/09/571289209.db2.gz SFIAKTNOAHDQME-VWLOTQADSA-N 1 1 367.496 6.692 50 10 FKCAMO