smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(CNc2[nH+]ccc3ccccc32)cc1 ZINC000000013164 591707327 /nfs/dbraw/zinc/70/73/27/591707327.db2.gz VHOZFSQGOUEHHG-UHFFFAOYSA-N 1 1 234.302 3.847 50 0 BHAAMO Clc1ccc(-c2[nH+]cn3ccccc23)cc1 ZINC000000032072 631289536 /nfs/dbraw/zinc/28/95/36/631289536.db2.gz XIAWSCCDDFHNDV-UHFFFAOYSA-N 1 1 228.682 3.655 50 0 BHAAMO Clc1ccccc1-c1[nH+]cc2ccccn21 ZINC000000114501 344546216 /nfs/dbraw/zinc/54/62/16/344546216.db2.gz NRWWXCCOXNHNGH-UHFFFAOYSA-N 1 1 228.682 3.655 50 0 BHAAMO C[N@@H+](Cc1c[nH]c2ccccc12)C1CCCCC1 ZINC000000142604 383833826 /nfs/dbraw/zinc/83/38/26/383833826.db2.gz XOXQJWBXMAGITH-UHFFFAOYSA-N 1 1 242.366 3.932 50 0 BHAAMO C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000000142612 177076341 /nfs/dbraw/zinc/07/63/41/177076341.db2.gz YUGZVPKKTDKFMZ-LBPRGKRZSA-N 1 1 228.339 3.542 50 0 BHAAMO C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000000142616 176073513 /nfs/dbraw/zinc/07/35/13/176073513.db2.gz YUGZVPKKTDKFMZ-GFCCVEGCSA-N 1 1 228.339 3.542 50 0 BHAAMO CC[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000000142624 344565262 /nfs/dbraw/zinc/56/52/62/344565262.db2.gz QRUIXROOBRASNA-AWEZNQCLSA-N 1 1 242.366 3.932 50 0 BHAAMO CC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccccc12 ZINC000000142628 344565257 /nfs/dbraw/zinc/56/52/57/344565257.db2.gz QRUIXROOBRASNA-CQSZACIVSA-N 1 1 242.366 3.932 50 0 BHAAMO Clc1ccc(-c2[nH+]cc3ccccn32)cc1 ZINC000000180463 344600883 /nfs/dbraw/zinc/60/08/83/344600883.db2.gz GVDFXXDMJXVNHB-UHFFFAOYSA-N 1 1 228.682 3.655 50 0 BHAAMO c1ccc2c(c1)N1CCC[NH+]=C1C21CCCCC1 ZINC000000184555 383885345 /nfs/dbraw/zinc/88/53/45/383885345.db2.gz MFIZZEVNBDGFMC-UHFFFAOYSA-N 1 1 240.350 3.511 50 0 BHAAMO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1C ZINC000000217021 383844371 /nfs/dbraw/zinc/84/43/71/383844371.db2.gz YDCADMWACCNXFD-UHFFFAOYSA-N 1 1 247.382 3.768 50 0 BHAAMO CCC1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC000000229827 356951676 /nfs/dbraw/zinc/95/16/76/356951676.db2.gz NXSLTLAORWDLGA-UHFFFAOYSA-N 1 1 246.398 3.525 50 0 BHAAMO Cc1ccc(-c2c[nH+]c3n2CCCCC3)cc1 ZINC000000245556 178328686 /nfs/dbraw/zinc/32/86/86/178328686.db2.gz KGLVKZKEMQNUEJ-UHFFFAOYSA-N 1 1 226.323 3.585 50 0 BHAAMO COc1ccc(C[N@H+]2CCCC[C@H]2C)c(C)c1C ZINC000000277896 175098954 /nfs/dbraw/zinc/09/89/54/175098954.db2.gz UWRWRXWLLGXKFW-GFCCVEGCSA-N 1 1 247.382 3.686 50 0 BHAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2C)c(C)c1C ZINC000000277898 175098816 /nfs/dbraw/zinc/09/88/16/175098816.db2.gz UWRWRXWLLGXKFW-LBPRGKRZSA-N 1 1 247.382 3.686 50 0 BHAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000000279401 342682028 /nfs/dbraw/zinc/68/20/28/342682028.db2.gz PMUOMFGRPVAPMX-HNNXBMFYSA-N 1 1 247.382 3.768 50 0 BHAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C)c1 ZINC000000279402 342682185 /nfs/dbraw/zinc/68/21/85/342682185.db2.gz PMUOMFGRPVAPMX-OAHLLOKOSA-N 1 1 247.382 3.768 50 0 BHAAMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000000279437 343269347 /nfs/dbraw/zinc/26/93/47/343269347.db2.gz CBOPVCLWJJSXBV-GFCCVEGCSA-N 1 1 247.382 3.544 50 0 BHAAMO COc1cc(C)c(C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000000279439 174957612 /nfs/dbraw/zinc/95/76/12/174957612.db2.gz CBOPVCLWJJSXBV-LBPRGKRZSA-N 1 1 247.382 3.544 50 0 BHAAMO Cc1cc(C)c(NC2=[NH+]CCCS2)cc1C ZINC000000338539 344707156 /nfs/dbraw/zinc/70/71/56/344707156.db2.gz VPTKVMSMIFZIBX-UHFFFAOYSA-N 1 1 234.368 3.517 50 0 BHAAMO Cc1ccc(NC2=[NH+]CCCS2)c(C)c1C ZINC000000338703 344708308 /nfs/dbraw/zinc/70/83/08/344708308.db2.gz CXVJKQUOGCFXSP-UHFFFAOYSA-N 1 1 234.368 3.517 50 0 BHAAMO Cc1cc(C)c(NC2=[NH+]CCCS2)c(C)c1 ZINC000000347720 397914589 /nfs/dbraw/zinc/91/45/89/397914589.db2.gz BYSMUBUNVRLVLJ-UHFFFAOYSA-N 1 1 234.368 3.517 50 0 BHAAMO CCc1ccccc1Nc1[nH]c2ccccc2[nH+]1 ZINC000000352071 383856530 /nfs/dbraw/zinc/85/65/30/383856530.db2.gz CCVDTAMKBZKEIN-UHFFFAOYSA-N 1 1 237.306 3.869 50 0 BHAAMO Cc1ccc(C)c(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000000382815 383862038 /nfs/dbraw/zinc/86/20/38/383862038.db2.gz JYDYMGIBJJSHOU-UHFFFAOYSA-N 1 1 237.306 3.923 50 0 BHAAMO Clc1ccc(Nc2[nH]c3ccccc3[nH+]2)cc1 ZINC000000513033 342689090 /nfs/dbraw/zinc/68/90/90/342689090.db2.gz ATZIHMHTBDVWPP-UHFFFAOYSA-N 1 1 243.697 3.960 50 0 BHAAMO Cc1ccccc1Nc1[nH]c2ccccc2[nH+]1 ZINC000000513051 179308380 /nfs/dbraw/zinc/30/83/80/179308380.db2.gz SXLMEPQWOAXDAB-UHFFFAOYSA-N 1 1 223.279 3.615 50 0 BHAAMO Cc1cccc(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000000513052 179158961 /nfs/dbraw/zinc/15/89/61/179158961.db2.gz NMORHVKBDAKIFA-UHFFFAOYSA-N 1 1 223.279 3.615 50 0 BHAAMO Clc1cccc(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000000513172 346951962 /nfs/dbraw/zinc/95/19/62/346951962.db2.gz XSAWUTHHNIJKRI-UHFFFAOYSA-N 1 1 243.697 3.960 50 0 BHAAMO CC1=C(c2c[nH]c3ccccc23)C[C@H](C)[N@H+](C)C1 ZINC000000517759 168088134 /nfs/dbraw/zinc/08/81/34/168088134.db2.gz ZXLLVEXGVISQRV-LBPRGKRZSA-N 1 1 240.350 3.665 50 0 BHAAMO CC1=C(c2c[nH]c3ccccc23)C[C@@H](C)[N@H+](C)C1 ZINC000000517760 168088031 /nfs/dbraw/zinc/08/80/31/168088031.db2.gz ZXLLVEXGVISQRV-GFCCVEGCSA-N 1 1 240.350 3.665 50 0 BHAAMO COc1ccc(C[N@H+]2CCC[C@@H](C)C2)c(C)c1C ZINC000000759133 187244942 /nfs/dbraw/zinc/24/49/42/187244942.db2.gz QMBKJKXXFBRETI-GFCCVEGCSA-N 1 1 247.382 3.544 50 0 BHAAMO COc1ccc(C[N@H+]2CCC[C@H](C)C2)c(C)c1C ZINC000000759135 175100289 /nfs/dbraw/zinc/10/02/89/175100289.db2.gz QMBKJKXXFBRETI-LBPRGKRZSA-N 1 1 247.382 3.544 50 0 BHAAMO CCC[N@H+](Cc1c[nH]c2ccccc12)CC1CC1 ZINC000000761365 642804563 /nfs/dbraw/zinc/80/45/63/642804563.db2.gz LRXKUEUDVQRPJV-UHFFFAOYSA-N 1 1 242.366 3.790 50 0 BHAAMO C[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000000968305 342694895 /nfs/dbraw/zinc/69/48/95/342694895.db2.gz YXKTVDFXDRQTKV-HNNXBMFYSA-N 1 1 239.362 3.750 50 0 fda BHAAMO C[C@@H]1[N@@H+](Cc2ccccc2)CC12CCCCC2 ZINC000001195261 383891553 /nfs/dbraw/zinc/89/15/53/383891553.db2.gz KDXZIEBCIJZYPX-AWEZNQCLSA-N 1 1 229.367 3.841 50 0 BHAAMO C[C@H]1[N@@H+](Cc2ccccc2)CC12CCCCC2 ZINC000001195263 177392058 /nfs/dbraw/zinc/39/20/58/177392058.db2.gz KDXZIEBCIJZYPX-CQSZACIVSA-N 1 1 229.367 3.841 50 0 BHAAMO Cc1[nH]c(C)c(-c2cccc(C(F)(F)F)c2)[nH+]1 ZINC000001742740 383934165 /nfs/dbraw/zinc/93/41/65/383934165.db2.gz YVHMEDPJSPQTRM-UHFFFAOYSA-N 1 1 240.228 3.712 50 0 BHAAMO CCCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000001905345 411217875 /nfs/dbraw/zinc/21/78/75/411217875.db2.gz NLDCEPGWZSZAMV-UHFFFAOYSA-N 1 1 211.736 3.572 50 0 BHAAMO O=C1CCCC[C@@H]1/C1=[NH+]/CCCCCCC1 ZINC000003074780 342730008 /nfs/dbraw/zinc/73/00/08/342730008.db2.gz MSEJRTWMABOMBB-ODHUPUGDSA-N 1 1 221.344 3.541 50 0 BHAAMO Cc1cccc(C)c1NC1=[NH+]CCCCS1 ZINC000004083265 179043123 /nfs/dbraw/zinc/04/31/23/179043123.db2.gz IZAXYXMZMUZZPQ-UHFFFAOYSA-N 1 1 234.368 3.598 50 0 BHAAMO C[N@@H+](C/C=C/c1ccccc1)C1CCCCC1 ZINC000004105465 372142572 /nfs/dbraw/zinc/14/25/72/372142572.db2.gz JHSPLRHTXFMMHZ-DHZHZOJOSA-N 1 1 229.367 3.964 50 0 BHAAMO Cc1cc[nH+]c(NCc2ccc(Cl)cc2)c1 ZINC000004124859 384041110 /nfs/dbraw/zinc/04/11/10/384041110.db2.gz NQBXTWUDCJPOEJ-UHFFFAOYSA-N 1 1 232.714 3.656 50 0 BHAAMO Clc1ccc2c(c1)[nH+]ccc2N1CCCCC1 ZINC000004335994 132316267 /nfs/dbraw/zinc/31/62/67/132316267.db2.gz FNCNNOMKQUPPIK-UHFFFAOYSA-N 1 1 246.741 3.879 50 0 BHAAMO C[N@H+]1CCC(=C(c2ccccc2)c2ccccc2)C1 ZINC000004336548 342746782 /nfs/dbraw/zinc/74/67/82/342746782.db2.gz KXHUKGKOOUFKQH-UHFFFAOYSA-N 1 1 249.357 3.824 50 0 BHAAMO CCC[N@H+](Cc1c(F)cccc1F)CC1CC1 ZINC000004477518 169172804 /nfs/dbraw/zinc/17/28/04/169172804.db2.gz KGLSVSJAGOESQY-UHFFFAOYSA-N 1 1 239.309 3.587 50 0 BHAAMO C[N@H+]1Cc2ccccc2[C@H]2CCc3ccccc3[C@H]21 ZINC000004480351 173202225 /nfs/dbraw/zinc/20/22/25/173202225.db2.gz RKUPAUHKGCQAHB-QZTJIDSGSA-N 1 1 249.357 3.903 50 0 BHAAMO C[C@H]1CC[C@@]2(C)C3=C(CCCC3)CC[N@H+]2C1 ZINC000004480491 346249073 /nfs/dbraw/zinc/24/90/73/346249073.db2.gz VVFRNCRIUGQNSU-WFASDCNBSA-N 1 1 219.372 3.751 50 0 BHAAMO C[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000004568480 176098318 /nfs/dbraw/zinc/09/83/18/176098318.db2.gz AGSGPSNESOQVIV-CYBMUJFWSA-N 1 1 235.396 3.511 50 0 BHAAMO C[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000004568481 177099434 /nfs/dbraw/zinc/09/94/34/177099434.db2.gz AGSGPSNESOQVIV-ZDUSSCGKSA-N 1 1 235.396 3.511 50 0 BHAAMO C[C@@H]1CC[C@@H]2[C@@H](C1)[NH2+]N(c1ccccc1)C2(C)C ZINC000004614329 176217881 /nfs/dbraw/zinc/21/78/81/176217881.db2.gz RLDTUSGDZIVBID-BPLDGKMQSA-N 1 1 244.382 3.595 50 0 BHAAMO C[C@@H]1CC[C@H]2[C@@H](C1)[NH2+]N(c1ccccc1)C2(C)C ZINC000004614331 176237781 /nfs/dbraw/zinc/23/77/81/176237781.db2.gz RLDTUSGDZIVBID-VHDGCEQUSA-N 1 1 244.382 3.595 50 0 BHAAMO Cc1[nH+]ccn1C(c1ccccc1)c1ccccc1 ZINC000004631780 180230951 /nfs/dbraw/zinc/23/09/51/180230951.db2.gz TUBFGFBUQUWFQW-UHFFFAOYSA-N 1 1 248.329 3.829 50 0 BHAAMO Clc1ccc(C[NH+]2CCCC2)c(Cl)c1 ZINC000004685297 348021115 /nfs/dbraw/zinc/02/11/15/348021115.db2.gz GAJUDMBBMPVCHE-UHFFFAOYSA-N 1 1 230.138 3.589 50 0 BHAAMO CCCC[N@@H+](CC)C/C=C/c1ccccc1 ZINC000004688985 343963563 /nfs/dbraw/zinc/96/35/63/343963563.db2.gz LRMRYVILDDKJIT-FMIVXFBMSA-N 1 1 217.356 3.822 50 0 BHAAMO CCc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000004689711 343963610 /nfs/dbraw/zinc/96/36/10/343963610.db2.gz TVQCJJHSBDDVDX-UHFFFAOYSA-N 1 1 239.362 3.881 50 0 BHAAMO CCCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000004695086 343965160 /nfs/dbraw/zinc/96/51/60/343965160.db2.gz ZTRXIZZDBKBKCK-CYBMUJFWSA-N 1 1 205.345 3.522 50 0 BHAAMO CCCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000004695087 343965394 /nfs/dbraw/zinc/96/53/94/343965394.db2.gz ZTRXIZZDBKBKCK-ZDUSSCGKSA-N 1 1 205.345 3.522 50 0 BHAAMO C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000004695090 343965397 /nfs/dbraw/zinc/96/53/97/343965397.db2.gz BSOHMAZEWIPCIN-HNNXBMFYSA-N 1 1 239.362 3.922 50 0 BHAAMO C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000004695091 343965095 /nfs/dbraw/zinc/96/50/95/343965095.db2.gz BSOHMAZEWIPCIN-OAHLLOKOSA-N 1 1 239.362 3.922 50 0 BHAAMO C[N@H+]1C=CC=C/C1=C\C=C1\C=Nc2ccccc21 ZINC000004713434 360473907 /nfs/dbraw/zinc/47/39/07/360473907.db2.gz DHWBPQRIUWVLJR-ZKLMZBBOSA-N 1 1 234.302 3.685 50 0 BHAAMO C[N@@H+]1C=CC=C/C1=C\C=C1\C=Nc2ccccc21 ZINC000004713434 360473903 /nfs/dbraw/zinc/47/39/03/360473903.db2.gz DHWBPQRIUWVLJR-ZKLMZBBOSA-N 1 1 234.302 3.685 50 0 BHAAMO [NH2+]=C1c2ccccc2CN1c1ccc(Cl)cc1 ZINC000004718275 181207601 /nfs/dbraw/zinc/20/76/01/181207601.db2.gz PWKIUOZRZMHOTH-UHFFFAOYSA-N 1 1 242.709 3.686 50 0 BHAAMO O=C1CCCC[C@H]1/C1=[NH+]/CCCCCCC1 ZINC000004822706 342752763 /nfs/dbraw/zinc/75/27/63/342752763.db2.gz MSEJRTWMABOMBB-PRSJPOKTSA-N 1 1 221.344 3.541 50 0 BHAAMO C(=C/c1ccccc1)\c1[nH+]cc2ccccn12 ZINC000004865131 188333103 /nfs/dbraw/zinc/33/31/03/188333103.db2.gz NBRHMZAOZBNEIA-MDZDMXLPSA-N 1 1 220.275 3.505 50 0 BHAAMO Oc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000004987237 711738430 /nfs/dbraw/zinc/73/84/30/711738430.db2.gz LPZZGKAOEYRCGK-ZBFHGGJFSA-N 1 1 245.366 3.547 50 0 BHAAMO Oc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000004987241 711738362 /nfs/dbraw/zinc/73/83/62/711738362.db2.gz LPZZGKAOEYRCGK-HOCLYGCPSA-N 1 1 245.366 3.547 50 0 BHAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(F)cccc1F ZINC000004996368 342756365 /nfs/dbraw/zinc/75/63/65/342756365.db2.gz HWIGOOOMPYTLQZ-LLVKDONJSA-N 1 1 239.309 3.729 50 0 BHAAMO CC[C@H]1CCCC[N@H+]1Cc1c(F)cccc1F ZINC000004996369 342756348 /nfs/dbraw/zinc/75/63/48/342756348.db2.gz HWIGOOOMPYTLQZ-NSHDSACASA-N 1 1 239.309 3.729 50 0 BHAAMO c1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC000005331864 384109940 /nfs/dbraw/zinc/10/99/40/384109940.db2.gz NRTUTGBOQZQBMB-UHFFFAOYSA-N 1 1 220.275 3.978 50 0 BHAAMO CC[C@@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@H+]2C1 ZINC000005552610 346251866 /nfs/dbraw/zinc/25/18/66/346251866.db2.gz UAXGFKYRVMZENZ-DOMZBBRYSA-N 1 1 219.372 3.751 50 0 BHAAMO C[C@@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000005699941 176071247 /nfs/dbraw/zinc/07/12/47/176071247.db2.gz QBEWHMLBIJHMBB-OAHLLOKOSA-N 1 1 247.382 3.720 50 0 BHAAMO C[C@H]1CCCC[N@H+]1CCCCOc1ccccc1 ZINC000005699950 177075835 /nfs/dbraw/zinc/07/58/35/177075835.db2.gz QBEWHMLBIJHMBB-HNNXBMFYSA-N 1 1 247.382 3.720 50 0 BHAAMO c1ccc2c(c1)cc[nH+]c2NC1CCCCC1 ZINC000005739959 384126446 /nfs/dbraw/zinc/12/64/46/384126446.db2.gz JYYZNEHURPLOKZ-UHFFFAOYSA-N 1 1 226.323 3.979 50 0 BHAAMO Cc1scc(C[N@H+](C)Cc2ccccc2)c1C ZINC000006895118 361097427 /nfs/dbraw/zinc/09/74/27/361097427.db2.gz AWRZVUOEHMNEIK-UHFFFAOYSA-N 1 1 245.391 3.997 50 0 BHAAMO CC[C@@H]1CC[C@]2(C)C3=C(CCC3)CC[N@H+]2C1 ZINC000006996144 361169159 /nfs/dbraw/zinc/16/91/59/361169159.db2.gz UAXGFKYRVMZENZ-IUODEOHRSA-N 1 1 219.372 3.751 50 0 BHAAMO CC[C@H]1CC[C@]2(C)C3=C(CCC3)CC[N@H+]2C1 ZINC000006996145 344172574 /nfs/dbraw/zinc/17/25/74/344172574.db2.gz UAXGFKYRVMZENZ-SWLSCSKDSA-N 1 1 219.372 3.751 50 0 BHAAMO CC[C@H]1CC[C@@]2(C)C3=C(CCC3)CC[N@H+]2C1 ZINC000006996146 361168960 /nfs/dbraw/zinc/16/89/60/361168960.db2.gz UAXGFKYRVMZENZ-WFASDCNBSA-N 1 1 219.372 3.751 50 0 BHAAMO CC[C@@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000008729710 342803635 /nfs/dbraw/zinc/80/36/35/342803635.db2.gz FEIGSLIOAQWZLT-SECBINFHSA-N 1 1 244.791 3.561 50 0 BHAAMO CC[C@@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000008729710 342803633 /nfs/dbraw/zinc/80/36/33/342803633.db2.gz FEIGSLIOAQWZLT-SECBINFHSA-N 1 1 244.791 3.561 50 0 BHAAMO Cc1ccc(C[N@@H+](Cc2ccccc2)C(C)C)o1 ZINC000009720786 374230052 /nfs/dbraw/zinc/23/00/52/374230052.db2.gz JNLOETJJGPGRTQ-UHFFFAOYSA-N 1 1 243.350 3.999 50 0 BHAAMO C[N@H+]1CCc2c3ccccc3[nH]c2[C@H]1C(C)(C)C ZINC000011814716 173166542 /nfs/dbraw/zinc/16/65/42/173166542.db2.gz XCLFWKOJRZIQNW-HNNXBMFYSA-N 1 1 242.366 3.743 50 0 BHAAMO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@H]1C(C)(C)C ZINC000011814716 173166538 /nfs/dbraw/zinc/16/65/38/173166538.db2.gz XCLFWKOJRZIQNW-HNNXBMFYSA-N 1 1 242.366 3.743 50 0 BHAAMO C[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C(C)(C)C ZINC000011814717 173166429 /nfs/dbraw/zinc/16/64/29/173166429.db2.gz XCLFWKOJRZIQNW-OAHLLOKOSA-N 1 1 242.366 3.743 50 0 BHAAMO C[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1C(C)(C)C ZINC000011814717 173166425 /nfs/dbraw/zinc/16/64/25/173166425.db2.gz XCLFWKOJRZIQNW-OAHLLOKOSA-N 1 1 242.366 3.743 50 0 BHAAMO CC[C@H]1CCCC[N@H+]1Cc1cnc(Cl)s1 ZINC000012336291 342849260 /nfs/dbraw/zinc/84/92/60/342849260.db2.gz FEIGSLIOAQWZLT-VIFPVBQESA-N 1 1 244.791 3.561 50 0 BHAAMO CC[C@H]1CCCC[N@@H+]1Cc1cnc(Cl)s1 ZINC000012336291 342849259 /nfs/dbraw/zinc/84/92/59/342849259.db2.gz FEIGSLIOAQWZLT-VIFPVBQESA-N 1 1 244.791 3.561 50 0 BHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000012350190 176073544 /nfs/dbraw/zinc/07/35/44/176073544.db2.gz VRICTDXBHLDGRS-LLVKDONJSA-N 1 1 223.747 3.714 50 0 BHAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1Cl ZINC000012350199 177076697 /nfs/dbraw/zinc/07/66/97/177076697.db2.gz VRICTDXBHLDGRS-NSHDSACASA-N 1 1 223.747 3.714 50 0 BHAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000012350995 176101250 /nfs/dbraw/zinc/10/12/50/176101250.db2.gz QUAZCBBGZZHVLQ-LLVKDONJSA-N 1 1 223.747 3.572 50 0 BHAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000012350999 177100944 /nfs/dbraw/zinc/10/09/44/177100944.db2.gz QUAZCBBGZZHVLQ-NSHDSACASA-N 1 1 223.747 3.572 50 0 BHAAMO CCCC[N@@H+](C)Cc1ccccc1Cl ZINC000012351004 350142682 /nfs/dbraw/zinc/14/26/82/350142682.db2.gz FCANELNTPAJHCE-UHFFFAOYSA-N 1 1 211.736 3.572 50 0 BHAAMO c1ccc(N[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000012387774 386224101 /nfs/dbraw/zinc/22/41/01/386224101.db2.gz RIPSGSJTPAWTCW-OAHLLOKOSA-N 1 1 244.382 3.506 50 0 BHAAMO c1ccc(N[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC000012387775 386224238 /nfs/dbraw/zinc/22/42/38/386224238.db2.gz RIPSGSJTPAWTCW-HNNXBMFYSA-N 1 1 244.382 3.506 50 0 BHAAMO CC[N@H+]1CCC[C@@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448104 343070599 /nfs/dbraw/zinc/07/05/99/343070599.db2.gz URJIGQPSTOLXKN-MRXNPFEDSA-N 1 1 246.398 3.706 50 0 BHAAMO CC[N@H+]1CCC[C@H](Nc2ccc(C(C)C)cc2)C1 ZINC000012448105 343070585 /nfs/dbraw/zinc/07/05/85/343070585.db2.gz URJIGQPSTOLXKN-INIZCTEOSA-N 1 1 246.398 3.706 50 0 BHAAMO C[C@H]1CCC[C@H](C)[NH+]1Cc1cnc(Cl)s1 ZINC000012857678 177132610 /nfs/dbraw/zinc/13/26/10/177132610.db2.gz ATOYDZGNWZGHOP-IUCAKERBSA-N 1 1 244.791 3.559 50 0 BHAAMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cnc(Cl)s1 ZINC000012857688 176116472 /nfs/dbraw/zinc/11/64/72/176116472.db2.gz ATOYDZGNWZGHOP-RKDXNWHRSA-N 1 1 244.791 3.559 50 0 BHAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cnc(Cl)s1 ZINC000012857696 177116686 /nfs/dbraw/zinc/11/66/86/177116686.db2.gz ATOYDZGNWZGHOP-DTORHVGOSA-N 1 1 244.791 3.559 50 0 BHAAMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cnc(Cl)s1 ZINC000012857696 177116685 /nfs/dbraw/zinc/11/66/85/177116685.db2.gz ATOYDZGNWZGHOP-DTORHVGOSA-N 1 1 244.791 3.559 50 0 BHAAMO CCC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000013731903 169185443 /nfs/dbraw/zinc/18/54/43/169185443.db2.gz FJAGJTZGNGENJB-UHFFFAOYSA-N 1 1 240.350 3.667 50 0 BHAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000013945871 176073425 /nfs/dbraw/zinc/07/34/25/176073425.db2.gz XSUFBMOOGHTPOZ-LLVKDONJSA-N 1 1 223.747 3.714 50 0 BHAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000013945872 177077297 /nfs/dbraw/zinc/07/72/97/177077297.db2.gz XSUFBMOOGHTPOZ-NSHDSACASA-N 1 1 223.747 3.714 50 0 BHAAMO Clc1ccc(C[NH+]2CCCC2)cc1Cl ZINC000014193451 342878028 /nfs/dbraw/zinc/87/80/28/342878028.db2.gz WDZCZBAYSVRTKY-UHFFFAOYSA-N 1 1 230.138 3.589 50 0 BHAAMO Clc1ccc(C[NH+]2CCCCC2)cc1Cl ZINC000014193496 180578760 /nfs/dbraw/zinc/57/87/60/180578760.db2.gz BXFQPOSXMHIFOF-UHFFFAOYSA-N 1 1 244.165 3.979 50 0 BHAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000014193645 176101233 /nfs/dbraw/zinc/10/12/33/176101233.db2.gz SCSCONWPVVMLOB-LLVKDONJSA-N 1 1 223.747 3.572 50 0 BHAAMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000014193646 177102330 /nfs/dbraw/zinc/10/23/30/177102330.db2.gz SCSCONWPVVMLOB-NSHDSACASA-N 1 1 223.747 3.572 50 0 BHAAMO Cc1ccccc1C[N@H+]1CCc2ccccc2C1 ZINC000014217351 179276043 /nfs/dbraw/zinc/27/60/43/179276043.db2.gz OIRNNCBLHZHTQN-UHFFFAOYSA-N 1 1 237.346 3.553 50 0 BHAAMO Fc1cc(Cl)ccc1NC1=[NH+]CCCCC1 ZINC000015952945 385371506 /nfs/dbraw/zinc/37/15/06/385371506.db2.gz LBPGFPPMVWLGCF-UHFFFAOYSA-N 1 1 240.709 3.864 50 0 BHAAMO Fc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000016449775 181012979 /nfs/dbraw/zinc/01/29/79/181012979.db2.gz AMDBWGUMGZPAEC-UHFFFAOYSA-N 1 1 249.716 3.769 50 0 BHAAMO Fc1cccc(Cl)c1C[NH2+]Cc1ccccc1 ZINC000016480077 342911350 /nfs/dbraw/zinc/91/13/50/342911350.db2.gz BUQFFHDGVLQFNJ-UHFFFAOYSA-N 1 1 249.716 3.769 50 0 BHAAMO Cc1cccc(NCc2ccc(Cl)cc2)[nH+]1 ZINC000018270818 179150835 /nfs/dbraw/zinc/15/08/35/179150835.db2.gz FLONZJBHVKBLQY-UHFFFAOYSA-N 1 1 232.714 3.656 50 0 BHAAMO Cc1ccc(C[NH2+]Cc2ccccc2Cl)o1 ZINC000019908181 342962943 /nfs/dbraw/zinc/96/29/43/342962943.db2.gz NCQHTAORKSUIKW-UHFFFAOYSA-N 1 1 235.714 3.531 50 0 BHAAMO C[N@H+]1Cc2ccccc2[C@@H]2CCc3ccccc3[C@@H]21 ZINC000019908774 173201741 /nfs/dbraw/zinc/20/17/41/173201741.db2.gz RKUPAUHKGCQAHB-ROUUACIJSA-N 1 1 249.357 3.903 50 0 BHAAMO C[N@H+]1Cc2ccccc2[C@H]2CCc3ccccc3[C@@H]21 ZINC000019908776 173201259 /nfs/dbraw/zinc/20/12/59/173201259.db2.gz RKUPAUHKGCQAHB-MSOLQXFVSA-N 1 1 249.357 3.903 50 0 BHAAMO [NH2+]=C1c2ccccc2CN1c1cccc(Cl)c1 ZINC000020002882 181207235 /nfs/dbraw/zinc/20/72/35/181207235.db2.gz LSCHZKURTICKTH-UHFFFAOYSA-N 1 1 242.709 3.686 50 0 BHAAMO CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000020058007 342967397 /nfs/dbraw/zinc/96/73/97/342967397.db2.gz HHOMJYDQQUYWDE-UHFFFAOYSA-N 1 1 217.356 3.841 50 0 BHAAMO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@H]2C)o1 ZINC000022077729 355943412 /nfs/dbraw/zinc/94/34/12/355943412.db2.gz VETYRGYMDFMOAY-CHWSQXEVSA-N 1 1 235.371 3.956 50 0 BHAAMO Cc1ccc([C@H](C)CC[N@H+]2CCCC[C@@H]2C)o1 ZINC000022077732 384731275 /nfs/dbraw/zinc/73/12/75/384731275.db2.gz VETYRGYMDFMOAY-OLZOCXBDSA-N 1 1 235.371 3.956 50 0 BHAAMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000022077739 368419089 /nfs/dbraw/zinc/41/90/89/368419089.db2.gz DMNJADKCJPTELM-CHWSQXEVSA-N 1 1 235.371 3.814 50 0 BHAAMO Cc1ccc([C@H](C)CC[N@H+]2CCC[C@H](C)C2)o1 ZINC000022077742 343271949 /nfs/dbraw/zinc/27/19/49/343271949.db2.gz DMNJADKCJPTELM-QWHCGFSZSA-N 1 1 235.371 3.814 50 0 BHAAMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)cc2)cs1 ZINC000022864531 343742798 /nfs/dbraw/zinc/74/27/98/343742798.db2.gz OHUCTXBDNILQJI-LLVKDONJSA-N 1 1 246.379 3.611 50 0 BHAAMO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)cc2)cs1 ZINC000022864536 343742976 /nfs/dbraw/zinc/74/29/76/343742976.db2.gz OHUCTXBDNILQJI-NSHDSACASA-N 1 1 246.379 3.611 50 0 BHAAMO CCCC[N@@H+](C)Cc1ccc(OC)c(C)c1C ZINC000023281363 343063404 /nfs/dbraw/zinc/06/34/04/343063404.db2.gz MLLQSDHJVHBPSV-UHFFFAOYSA-N 1 1 235.371 3.544 50 0 BHAAMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000023282103 343063354 /nfs/dbraw/zinc/06/33/54/343063354.db2.gz JNOTWIYRYWECKJ-AWEZNQCLSA-N 1 1 247.382 3.686 50 0 BHAAMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2C)cc1C ZINC000023282105 343063010 /nfs/dbraw/zinc/06/30/10/343063010.db2.gz JNOTWIYRYWECKJ-CQSZACIVSA-N 1 1 247.382 3.686 50 0 BHAAMO Clc1ccc2[nH]c(Nc3ccccc3)[nH+]c2c1 ZINC000026440423 343105230 /nfs/dbraw/zinc/10/52/30/343105230.db2.gz PSRPSUXQVOROSZ-UHFFFAOYSA-N 1 1 243.697 3.960 50 0 BHAAMO c1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1 ZINC000026738222 188109821 /nfs/dbraw/zinc/10/98/21/188109821.db2.gz MMHFZZRBVWLWAT-UHFFFAOYSA-N 1 1 249.357 3.976 50 0 BHAAMO C[N@H+]1Cc2ccccc2[C@@H]2CCc3ccccc3[C@H]21 ZINC000031771510 173202257 /nfs/dbraw/zinc/20/22/57/173202257.db2.gz RKUPAUHKGCQAHB-ZWKOTPCHSA-N 1 1 249.357 3.903 50 0 BHAAMO CCCCCCSCCC[N@H+]1CCSC1 ZINC000033754567 350462774 /nfs/dbraw/zinc/46/27/74/350462774.db2.gz FKCWRXHPVZGXRB-UHFFFAOYSA-N 1 1 247.473 3.696 50 0 BHAAMO CCCCCCSCCC[N@@H+]1CCSC1 ZINC000033754567 350462771 /nfs/dbraw/zinc/46/27/71/350462771.db2.gz FKCWRXHPVZGXRB-UHFFFAOYSA-N 1 1 247.473 3.696 50 0 BHAAMO CCCCSCCCCC[N@H+]1CCSC1 ZINC000033754569 350462471 /nfs/dbraw/zinc/46/24/71/350462471.db2.gz MGAYOFBZKDBMOM-UHFFFAOYSA-N 1 1 247.473 3.696 50 0 BHAAMO CCCCSCCCCC[N@@H+]1CCSC1 ZINC000033754569 350462468 /nfs/dbraw/zinc/46/24/68/350462468.db2.gz MGAYOFBZKDBMOM-UHFFFAOYSA-N 1 1 247.473 3.696 50 0 BHAAMO CC(C)c1[nH+]ccn1Cc1ccccc1Cl ZINC000034176118 350257732 /nfs/dbraw/zinc/25/77/32/350257732.db2.gz SUPLUIVAEOHHJM-UHFFFAOYSA-N 1 1 234.730 3.708 50 0 BHAAMO C[C@@H]1CCCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000037498299 176081729 /nfs/dbraw/zinc/08/17/29/176081729.db2.gz NWXBARKVGHWHOE-MNOVXSKESA-N 1 1 229.327 3.554 50 0 BHAAMO C[C@H]1CCCC[C@@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000037498300 177083442 /nfs/dbraw/zinc/08/34/42/177083442.db2.gz NWXBARKVGHWHOE-QWRGUYRKSA-N 1 1 229.327 3.554 50 0 BHAAMO C[C@@H]1CCCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000037498301 176089072 /nfs/dbraw/zinc/08/90/72/176089072.db2.gz NWXBARKVGHWHOE-GHMZBOCLSA-N 1 1 229.327 3.554 50 0 BHAAMO C[C@H]1CCCC[C@H]1Nc1[nH]c2ccccc2[nH+]1 ZINC000037498302 177089819 /nfs/dbraw/zinc/08/98/19/177089819.db2.gz NWXBARKVGHWHOE-WDEREUQCSA-N 1 1 229.327 3.554 50 0 BHAAMO CC[N@@H+](C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC000037553887 364178642 /nfs/dbraw/zinc/17/86/42/364178642.db2.gz GNQDGNGICUKJKS-UHFFFAOYSA-N 1 1 240.350 3.509 50 0 BHAAMO Cc1cccc(NC2CCCCCC2)[nH+]1 ZINC000037670630 187292990 /nfs/dbraw/zinc/29/29/90/187292990.db2.gz LIMORMGRSOMMKG-UHFFFAOYSA-N 1 1 204.317 3.525 50 0 BHAAMO Cc1ccccc1C[N@@H+](C)Cc1ccccc1 ZINC000039170262 179270102 /nfs/dbraw/zinc/27/01/02/179270102.db2.gz PSBPHJZLPVJJER-UHFFFAOYSA-N 1 1 225.335 3.627 50 0 BHAAMO CCCCCc1nc2ccc(Cl)cc2[nH]1 ZINC000039222221 343122262 /nfs/dbraw/zinc/12/22/62/343122262.db2.gz BIMBDAHDUPIEFL-UHFFFAOYSA-N 1 1 222.719 3.949 50 0 BHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@@H]2C)o1 ZINC000039408725 384113137 /nfs/dbraw/zinc/11/31/37/384113137.db2.gz VETYRGYMDFMOAY-STQMWFEESA-N 1 1 235.371 3.956 50 0 BHAAMO CC[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000040009445 373087400 /nfs/dbraw/zinc/08/74/00/373087400.db2.gz GKHJDXBPKGAOQO-UHFFFAOYSA-N 1 1 225.335 3.728 50 0 BHAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000040049887 388411854 /nfs/dbraw/zinc/41/18/54/388411854.db2.gz SXOZCLFVHCTVJX-QGZVFWFLSA-N 1 1 237.346 3.806 50 0 BHAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000040049888 386501653 /nfs/dbraw/zinc/50/16/53/386501653.db2.gz SXOZCLFVHCTVJX-KRWDZBQOSA-N 1 1 237.346 3.806 50 0 BHAAMO C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000040161799 176101713 /nfs/dbraw/zinc/10/17/13/176101713.db2.gz DNZGPRMVKJZDQV-LLVKDONJSA-N 1 1 246.379 3.528 50 0 BHAAMO C[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000040161800 177104125 /nfs/dbraw/zinc/10/41/25/177104125.db2.gz DNZGPRMVKJZDQV-NSHDSACASA-N 1 1 246.379 3.528 50 0 BHAAMO C[N@@H+](Cc1cccc(F)c1)Cc1ccccc1F ZINC000040161825 388412879 /nfs/dbraw/zinc/41/28/79/388412879.db2.gz PUOQNCKPEGFPIJ-UHFFFAOYSA-N 1 1 247.288 3.597 50 0 BHAAMO C[N@H+](Cc1cccc(F)c1)Cc1ccccc1F ZINC000040161825 388412876 /nfs/dbraw/zinc/41/28/76/388412876.db2.gz PUOQNCKPEGFPIJ-UHFFFAOYSA-N 1 1 247.288 3.597 50 0 BHAAMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000040161826 388412651 /nfs/dbraw/zinc/41/26/51/388412651.db2.gz CRFSPRQOBSNIHP-UHFFFAOYSA-N 1 1 247.288 3.597 50 0 BHAAMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000040161828 388412793 /nfs/dbraw/zinc/41/27/93/388412793.db2.gz VDBHQEGEQDMJRG-UHFFFAOYSA-N 1 1 247.288 3.597 50 0 BHAAMO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000040161828 388412792 /nfs/dbraw/zinc/41/27/92/388412792.db2.gz VDBHQEGEQDMJRG-UHFFFAOYSA-N 1 1 247.288 3.597 50 0 BHAAMO Cc1ccc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000040161835 373112462 /nfs/dbraw/zinc/11/24/62/373112462.db2.gz HRNFEHSZTFBWNY-UHFFFAOYSA-N 1 1 229.323 3.528 50 0 BHAAMO Cc1cc(C)cc(Nc2[nH]c3ccccc3[nH+]2)c1 ZINC000041595780 374148612 /nfs/dbraw/zinc/14/86/12/374148612.db2.gz WQKCLTSDZAQCOM-UHFFFAOYSA-N 1 1 237.306 3.923 50 0 BHAAMO Cc1ccc2oc(C[NH2+]Cc3ccco3)cc2c1 ZINC000042893521 343456769 /nfs/dbraw/zinc/45/67/69/343456769.db2.gz LIVZZWVHKHZBMI-UHFFFAOYSA-N 1 1 241.290 3.624 50 0 BHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@H](C)C2)o1 ZINC000043164397 343464576 /nfs/dbraw/zinc/46/45/76/343464576.db2.gz DMNJADKCJPTELM-STQMWFEESA-N 1 1 235.371 3.814 50 0 BHAAMO Cc1ccc(C[NH2+]Cc2cc3ccccc3o2)o1 ZINC000048068292 487882635 /nfs/dbraw/zinc/88/26/35/487882635.db2.gz FULHTVWUZVNANC-UHFFFAOYSA-N 1 1 241.290 3.624 50 0 BHAAMO Cc1ccc(C[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)o1 ZINC000048327097 411188882 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1 249.423 3.885 50 0 BHAAMO CSCCC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000089669438 388359409 /nfs/dbraw/zinc/35/94/09/388359409.db2.gz UHGSUZQJZMUOFR-OAHLLOKOSA-N 1 1 249.423 3.885 50 0 BHAAMO C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCCCC1 ZINC000089913753 176039449 /nfs/dbraw/zinc/03/94/49/176039449.db2.gz WIJUIADVPMFBBS-NSHDSACASA-N 1 1 236.359 3.519 50 0 BHAAMO C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCCCC1 ZINC000089913754 177054574 /nfs/dbraw/zinc/05/45/74/177054574.db2.gz WIJUIADVPMFBBS-LLVKDONJSA-N 1 1 236.359 3.519 50 0 BHAAMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C1CCCC1 ZINC000089922504 388373732 /nfs/dbraw/zinc/37/37/32/388373732.db2.gz JXLQZRKEOUWIFO-DYEKYZERSA-N 1 1 207.361 3.582 50 0 BHAAMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1C1CCCC1 ZINC000089922508 388373563 /nfs/dbraw/zinc/37/35/63/388373563.db2.gz JXLQZRKEOUWIFO-BZPMIXESSA-N 1 1 207.361 3.582 50 0 BHAAMO CCCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000089953515 388376216 /nfs/dbraw/zinc/37/62/16/388376216.db2.gz NEKNRSUPAMMITJ-CQSZACIVSA-N 1 1 221.319 3.545 50 0 BHAAMO CCCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000089953517 388376575 /nfs/dbraw/zinc/37/65/75/388376575.db2.gz NEKNRSUPAMMITJ-AWEZNQCLSA-N 1 1 221.319 3.545 50 0 BHAAMO CC(C)C[C@H]([NH2+]Cc1ccco1)c1ccccn1 ZINC000095419185 388767720 /nfs/dbraw/zinc/76/77/20/388767720.db2.gz GZZHALVJZLQLNA-HNNXBMFYSA-N 1 1 244.338 3.552 50 0 BHAAMO CC(C)C[C@@H]([NH2+]Cc1ccco1)c1ccccn1 ZINC000095419186 188318986 /nfs/dbraw/zinc/31/89/86/188318986.db2.gz GZZHALVJZLQLNA-OAHLLOKOSA-N 1 1 244.338 3.552 50 0 BHAAMO Cc1cccnc1C[N@H+](C)C1CCCCCCC1 ZINC000095459075 179371242 /nfs/dbraw/zinc/37/12/42/179371242.db2.gz GRGANHGCPIDFDU-UHFFFAOYSA-N 1 1 246.398 3.935 50 0 BHAAMO Cc1cc(C)c(C[N@H+]2CCCSCC2)cc1C ZINC000095468621 388774709 /nfs/dbraw/zinc/77/47/09/388774709.db2.gz FJMVWRQIWLVCQM-UHFFFAOYSA-N 1 1 249.423 3.551 50 0 BHAAMO C[N@@H+](Cc1ccccc1)C1CCCCCC1 ZINC000095946870 388793648 /nfs/dbraw/zinc/79/36/48/388793648.db2.gz AMINYTWEMOODJO-UHFFFAOYSA-N 1 1 217.356 3.841 50 0 BHAAMO CC(C)C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000095948719 384418515 /nfs/dbraw/zinc/41/85/15/384418515.db2.gz ZMDOMOVXCUBOBB-CYBMUJFWSA-N 1 1 205.345 3.553 50 0 BHAAMO CC(C)C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000095948720 187288908 /nfs/dbraw/zinc/28/89/08/187288908.db2.gz ZMDOMOVXCUBOBB-ZDUSSCGKSA-N 1 1 205.345 3.553 50 0 BHAAMO CCSCC[N@@H+](CC)Cc1ccccc1C ZINC000095960394 388796188 /nfs/dbraw/zinc/79/61/88/388796188.db2.gz HGGIKCYNGIFUCL-UHFFFAOYSA-N 1 1 237.412 3.570 50 0 BHAAMO CC(C)(C[N@H+]1CCC=C(F)C1)c1ccccc1 ZINC000096003655 388801492 /nfs/dbraw/zinc/80/14/92/388801492.db2.gz SMOKMWBCNLRTTP-UHFFFAOYSA-N 1 1 233.330 3.523 50 0 BHAAMO CC(C)(C[N@@H+]1CCC=C(F)C1)c1ccccc1 ZINC000096003655 388801491 /nfs/dbraw/zinc/80/14/91/388801491.db2.gz SMOKMWBCNLRTTP-UHFFFAOYSA-N 1 1 233.330 3.523 50 0 BHAAMO CCCC[N@@H+](C)CCSc1ccccc1C ZINC000096026686 371381320 /nfs/dbraw/zinc/38/13/20/371381320.db2.gz JFGDJNJALTYYEN-UHFFFAOYSA-N 1 1 237.412 3.819 50 0 BHAAMO CC[N@@H+](C)C1(c2ccccc2)CCCCC1 ZINC000096026710 371381569 /nfs/dbraw/zinc/38/15/69/371381569.db2.gz MGDJUVKRKGOTEA-UHFFFAOYSA-N 1 1 217.356 3.798 50 0 BHAAMO C[N@H+]1CCCC[C@@H]1C1(c2ccccc2)CCCC1 ZINC000096027027 371380919 /nfs/dbraw/zinc/38/09/19/371380919.db2.gz LIZBNBVZYITJTA-MRXNPFEDSA-N 1 1 243.394 3.983 50 0 BHAAMO C[N@H+]1CCCC[C@H]1C1(c2ccccc2)CCCC1 ZINC000096027028 371381140 /nfs/dbraw/zinc/38/11/40/371381140.db2.gz LIZBNBVZYITJTA-INIZCTEOSA-N 1 1 243.394 3.983 50 0 BHAAMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCC(=O)c1ccccc1 ZINC000096027800 256643023 /nfs/dbraw/zinc/64/30/23/256643023.db2.gz HGKYRGFXUDYROZ-OKILXGFUSA-N 1 1 245.366 3.522 50 0 BHAAMO Cc1cnc(C[NH2+][C@H](C)c2cccc(C)c2)s1 ZINC000096478615 179183288 /nfs/dbraw/zinc/18/32/88/179183288.db2.gz LNSRJGHEHIHMOL-GFCCVEGCSA-N 1 1 246.379 3.611 50 0 BHAAMO Cc1cnc(C[NH2+][C@@H](C)c2cccc(C)c2)s1 ZINC000096478617 179195858 /nfs/dbraw/zinc/19/58/58/179195858.db2.gz LNSRJGHEHIHMOL-LBPRGKRZSA-N 1 1 246.379 3.611 50 0 BHAAMO Cc1cccc(NC2CCC(OC(C)C)CC2)[nH+]1 ZINC000097163387 187628894 /nfs/dbraw/zinc/62/88/94/187628894.db2.gz YQOFDLBCWOLEQB-UHFFFAOYSA-N 1 1 248.370 3.538 50 0 BHAAMO C[N@@H+](C/C=C\c1ccccc1)C(C1CC1)C1CC1 ZINC000097288649 388835067 /nfs/dbraw/zinc/83/50/67/388835067.db2.gz TYIPOOCDLIFLEV-YVMONPNESA-N 1 1 241.378 3.820 50 0 BHAAMO Fc1ccc([C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000097425545 384517630 /nfs/dbraw/zinc/51/76/30/384517630.db2.gz JJUDALMSKMJRTE-OAHLLOKOSA-N 1 1 247.357 3.805 50 0 BHAAMO Fc1ccc([C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000097425546 384518255 /nfs/dbraw/zinc/51/82/55/384518255.db2.gz JJUDALMSKMJRTE-HNNXBMFYSA-N 1 1 247.357 3.805 50 0 BHAAMO Clc1ccc(-c2c[nH+]c3n2CCCCC3)cc1 ZINC000100858073 383898152 /nfs/dbraw/zinc/89/81/52/383898152.db2.gz VMWPHBAIOWWYLP-UHFFFAOYSA-N 1 1 246.741 3.930 50 0 BHAAMO C[N@H+]1C=CC=C/C1=C/C=C1/C=Nc2ccccc21 ZINC000102795809 491052304 /nfs/dbraw/zinc/05/23/04/491052304.db2.gz DHWBPQRIUWVLJR-FOIMCPNXSA-N 1 1 234.302 3.685 50 0 BHAAMO C[N@@H+]1C=CC=C/C1=C/C=C1/C=Nc2ccccc21 ZINC000102795809 491052303 /nfs/dbraw/zinc/05/23/03/491052303.db2.gz DHWBPQRIUWVLJR-FOIMCPNXSA-N 1 1 234.302 3.685 50 0 BHAAMO C[N@H+]1C=CC=C/C1=C/C=C1\C=Nc2ccccc21 ZINC000102795812 491052297 /nfs/dbraw/zinc/05/22/97/491052297.db2.gz DHWBPQRIUWVLJR-ITAGJCAXSA-N 1 1 234.302 3.685 50 0 BHAAMO C[N@@H+]1C=CC=C/C1=C/C=C1\C=Nc2ccccc21 ZINC000102795812 491052296 /nfs/dbraw/zinc/05/22/96/491052296.db2.gz DHWBPQRIUWVLJR-ITAGJCAXSA-N 1 1 234.302 3.685 50 0 BHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCCC[C@H]2C)o1 ZINC000104836222 386732856 /nfs/dbraw/zinc/73/28/56/386732856.db2.gz VETYRGYMDFMOAY-QWHCGFSZSA-N 1 1 235.371 3.956 50 0 BHAAMO [NH2+]=C(Sc1ccccc1)c1ccccc1 ZINC000105624276 368384940 /nfs/dbraw/zinc/38/49/40/368384940.db2.gz BNFZQXSCJKZLOD-UHFFFAOYSA-N 1 1 213.305 3.804 50 0 BHAAMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccco1 ZINC000170597320 171143891 /nfs/dbraw/zinc/14/38/91/171143891.db2.gz ZKGXVDCMFDTYNI-OAHLLOKOSA-N 1 1 241.334 3.617 50 0 BHAAMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccco1 ZINC000170597321 388240113 /nfs/dbraw/zinc/24/01/13/388240113.db2.gz ZKGXVDCMFDTYNI-HNNXBMFYSA-N 1 1 241.334 3.617 50 0 BHAAMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(F)cc1F ZINC000170599706 171161065 /nfs/dbraw/zinc/16/10/65/171161065.db2.gz HRPXUIMTWUNKED-QMTHXVAHSA-N 1 1 239.309 3.585 50 0 BHAAMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(F)cc1F ZINC000170599707 388240809 /nfs/dbraw/zinc/24/08/09/388240809.db2.gz HRPXUIMTWUNKED-YGRLFVJLSA-N 1 1 239.309 3.585 50 0 BHAAMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1F ZINC000170599708 171156332 /nfs/dbraw/zinc/15/63/32/171156332.db2.gz HRPXUIMTWUNKED-IINYFYTJSA-N 1 1 239.309 3.585 50 0 BHAAMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(F)cc1F ZINC000170599709 388240553 /nfs/dbraw/zinc/24/05/53/388240553.db2.gz HRPXUIMTWUNKED-HZMBPMFUSA-N 1 1 239.309 3.585 50 0 BHAAMO CC[C@@H]1CCCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000170639500 363122862 /nfs/dbraw/zinc/12/28/62/363122862.db2.gz MEWFHGNAMDRILI-OAHLLOKOSA-N 1 1 246.398 3.517 50 0 BHAAMO CC[C@H]1CCCC[N@H+]1Cc1cccc(N(C)C)c1 ZINC000170639502 363122841 /nfs/dbraw/zinc/12/28/41/363122841.db2.gz MEWFHGNAMDRILI-HNNXBMFYSA-N 1 1 246.398 3.517 50 0 BHAAMO c1ccc2c(c1)CC[C@H]2[N@H+]1CCc2ccccc2C1 ZINC000225417768 386193913 /nfs/dbraw/zinc/19/39/13/386193913.db2.gz DTWORJYPULNCJR-GOSISDBHSA-N 1 1 249.357 3.732 50 0 BHAAMO c1ccc2c(c1)CC[C@@H]2[N@H+]1CCc2ccccc2C1 ZINC000225417810 386192963 /nfs/dbraw/zinc/19/29/63/386192963.db2.gz DTWORJYPULNCJR-SFHVURJKSA-N 1 1 249.357 3.732 50 0 BHAAMO CCCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000241121900 398160029 /nfs/dbraw/zinc/16/00/29/398160029.db2.gz JEQCWNDZTTVXDN-GFCCVEGCSA-N 1 1 223.385 3.931 50 0 BHAAMO CCCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000241121901 398160018 /nfs/dbraw/zinc/16/00/18/398160018.db2.gz JEQCWNDZTTVXDN-LBPRGKRZSA-N 1 1 223.385 3.931 50 0 BHAAMO CC[N@@H+](CCCc1cccnc1)C1CCCCC1 ZINC000244735143 521042926 /nfs/dbraw/zinc/04/29/26/521042926.db2.gz NTLJMPNWDZGJIL-UHFFFAOYSA-N 1 1 246.398 3.669 50 0 BHAAMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C1CCCC1 ZINC000245680414 525355576 /nfs/dbraw/zinc/35/55/76/525355576.db2.gz JXLQZRKEOUWIFO-MBNYWOFBSA-N 1 1 207.361 3.582 50 0 BHAAMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1C1CCCC1 ZINC000245680422 525513424 /nfs/dbraw/zinc/51/34/24/525513424.db2.gz JXLQZRKEOUWIFO-YRGRVCCFSA-N 1 1 207.361 3.582 50 0 BHAAMO C[C@@H]1CC[C@H]2[C@H](C1)[NH2+]N(c1ccccc1)C2(C)C ZINC000248338480 345111328 /nfs/dbraw/zinc/11/13/28/345111328.db2.gz RLDTUSGDZIVBID-SNPRPXQTSA-N 1 1 244.382 3.595 50 0 BHAAMO C[C@@H]1CC[C@@H]2[C@H](C1)[NH2+]N(c1ccccc1)C2(C)C ZINC000248338481 345111737 /nfs/dbraw/zinc/11/17/37/345111737.db2.gz RLDTUSGDZIVBID-YUELXQCFSA-N 1 1 244.382 3.595 50 0 BHAAMO C[C@@H]([N@@H+](C)CCSC(C)(C)C)C1(C)CC1 ZINC000252507924 363453672 /nfs/dbraw/zinc/45/36/72/363453672.db2.gz WXHCPCQQRJGQJT-LLVKDONJSA-N 1 1 229.433 3.639 50 0 BHAAMO C[C@H]([N@@H+](C)CCSC(C)(C)C)C1(C)CC1 ZINC000252507925 345536235 /nfs/dbraw/zinc/53/62/35/345536235.db2.gz WXHCPCQQRJGQJT-NSHDSACASA-N 1 1 229.433 3.639 50 0 BHAAMO C[N@H+]1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@@H]21 ZINC000257356670 173037430 /nfs/dbraw/zinc/03/74/30/173037430.db2.gz JOUQNHPNPHYSCX-ARFHVFGLSA-N 1 1 229.367 3.665 50 0 BHAAMO C[N@H+]1CCC[C@@H]2CCC[C@@H](c3ccccc3)[C@H]21 ZINC000257356671 173036363 /nfs/dbraw/zinc/03/63/63/173036363.db2.gz JOUQNHPNPHYSCX-JYJNAYRXSA-N 1 1 229.367 3.665 50 0 BHAAMO C[N@H+]1CCC[C@@H]2CCC[C@H](c3ccccc3)[C@H]21 ZINC000257356672 173035387 /nfs/dbraw/zinc/03/53/87/173035387.db2.gz JOUQNHPNPHYSCX-XHSDSOJGSA-N 1 1 229.367 3.665 50 0 BHAAMO Cc1cc(C[N@H+]2CCC3(C2)CCCCCC3)on1 ZINC000368398898 177986844 /nfs/dbraw/zinc/98/68/44/177986844.db2.gz VQFLFELUVFHUDV-UHFFFAOYSA-N 1 1 248.370 3.529 50 0 BHAAMO Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000584904362 342791500 /nfs/dbraw/zinc/79/15/00/342791500.db2.gz DMNJADKCJPTELM-OLZOCXBDSA-N 1 1 235.371 3.814 50 0 BHAAMO