smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(C)c1Nc1[nH]c2ccccc2[nH+]1 ZINC000000003416 179045358 /nfs/dbraw/zinc/04/53/58/179045358.db2.gz HZDQKPPIIVQERW-UHFFFAOYSA-N 1 1 237.306 3.923 40 0 BHABMO C[N@@H+]1[C@H]2C=C(c3ccc(Cl)cc3)C[C@@H]1CC2 ZINC000000022173 173205864 /nfs/dbraw/zinc/20/58/64/173205864.db2.gz HOMPRVJHQIRSOD-KGLIPLIRSA-N 1 1 233.742 3.590 40 0 BHABMO CCCCO[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000001555292 342702862 /nfs/dbraw/zinc/70/28/62/342702862.db2.gz RXVXIYHFUSOSMY-MRXNPFEDSA-N 1 1 247.382 3.988 40 0 BHABMO C[N@H+](CCc1ccccn1)CCC1CCCCC1 ZINC000001562279 172784967 /nfs/dbraw/zinc/78/49/67/172784967.db2.gz XWWLVOGAFPPCTM-UHFFFAOYSA-N 1 1 246.398 3.526 40 0 BHABMO COC1=CCC2=C(CC[C@H]3[C@H]2CC[P@H+]3C)C1 ZINC000001580554 174014239 /nfs/dbraw/zinc/01/42/39/174014239.db2.gz YFYMSVMYOAVXAO-ADTLFGHVSA-N 1 1 236.295 3.901 40 0 BHABMO COC1=CCC2=C(CC[C@H]3[C@H]2CC[P@@H+]3C)C1 ZINC000001580554 174014237 /nfs/dbraw/zinc/01/42/37/174014237.db2.gz YFYMSVMYOAVXAO-ADTLFGHVSA-N 1 1 236.295 3.901 40 0 BHABMO CCC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000001585340 342704599 /nfs/dbraw/zinc/70/45/99/342704599.db2.gz XDFBYVHAQLXSTC-HNNXBMFYSA-N 1 1 217.356 3.841 40 0 BHABMO C1S[C@@H]2CCCC[C@@H]2[N@H+]1C1CCCCC1 ZINC000001588850 188274280 /nfs/dbraw/zinc/27/42/80/188274280.db2.gz TZSFURNFVAKOAH-QWHCGFSZSA-N 1 1 225.401 3.637 40 0 BHABMO CCCC[C@H]1CCCC[N@H+]1CSCC ZINC000001592265 169014186 /nfs/dbraw/zinc/01/41/86/169014186.db2.gz KUGLYLDXKDHJTM-LBPRGKRZSA-N 1 1 215.406 3.742 40 0 BHABMO Clc1ccc(C[NH+]2CCCCC2)c(Cl)c1 ZINC000001593123 342704767 /nfs/dbraw/zinc/70/47/67/342704767.db2.gz PLNYNDMWUUZECB-UHFFFAOYSA-N 1 1 244.165 3.979 40 0 BHABMO C(=C/c1cccs1)\C[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000001615846 383913447 /nfs/dbraw/zinc/91/34/47/383913447.db2.gz NOUVOGYXXQBAOA-PQSUYGEYSA-N 1 1 247.407 3.883 40 0 BHABMO CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000001634177 170025436 /nfs/dbraw/zinc/02/54/36/170025436.db2.gz KMXYENPKWAYWQL-QGZVFWFLSA-N 1 1 237.346 3.654 40 0 BHABMO CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000001634179 170025796 /nfs/dbraw/zinc/02/57/96/170025796.db2.gz KMXYENPKWAYWQL-KRWDZBQOSA-N 1 1 237.346 3.654 40 0 BHABMO c1ccc2c(c1)[nH]c1c2C[N@@H+](C2CCCCC2)C1 ZINC000001661442 383918350 /nfs/dbraw/zinc/91/83/50/383918350.db2.gz GAFCUPWPKTVQNA-UHFFFAOYSA-N 1 1 240.350 3.816 40 0 BHABMO CC[N@@H+](C)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001665860 342707520 /nfs/dbraw/zinc/70/75/20/342707520.db2.gz MJDUDHAPJCKZPF-KRWDZBQOSA-N 1 1 239.362 3.922 40 0 BHABMO C[C@H]1CCCCC[N@H+]1CCC(=O)c1ccccc1 ZINC000001671191 177070608 /nfs/dbraw/zinc/07/06/08/177070608.db2.gz RLMINDYHWVAVES-AWEZNQCLSA-N 1 1 245.366 3.524 40 0 BHABMO CCCCCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000001682890 342708746 /nfs/dbraw/zinc/70/87/46/342708746.db2.gz VIYGLKATUIGCMA-OKILXGFUSA-N 1 1 209.377 3.689 40 0 BHABMO C[C@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000001687215 177112137 /nfs/dbraw/zinc/11/21/37/177112137.db2.gz GYORBDCAYLXAIL-JTQLQIEISA-N 1 1 246.741 3.877 40 0 BHABMO Cc1ccc(SC[NH+]2CCCCC2)cc1 ZINC000001688836 383923510 /nfs/dbraw/zinc/92/35/10/383923510.db2.gz FXQCTACDIPKXQB-UHFFFAOYSA-N 1 1 221.369 3.531 40 0 in-vitro BHABMO ClC1(Cl)[C@@H]2CCCC[C@@]21[NH+]1CCCCC1 ZINC000001725750 342711441 /nfs/dbraw/zinc/71/14/41/342711441.db2.gz ZOXOJTBNXKKMIC-GHMZBOCLSA-N 1 1 248.197 3.589 40 0 BHABMO ClC1(Cl)[C@H]2CCCC[C@]21[NH+]1CCCCC1 ZINC000001725753 342711361 /nfs/dbraw/zinc/71/13/61/342711361.db2.gz ZOXOJTBNXKKMIC-QWRGUYRKSA-N 1 1 248.197 3.589 40 0 BHABMO CCC[C@@H]1C[N@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000003162922 385196372 /nfs/dbraw/zinc/19/63/72/385196372.db2.gz YOJMHIPQKWYITI-SWLSCSKDSA-N 1 1 219.372 3.751 40 0 BHABMO C[C@@H]1CCCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000004409428 176111379 /nfs/dbraw/zinc/11/13/79/176111379.db2.gz GYORBDCAYLXAIL-SNVBAGLBSA-N 1 1 246.741 3.877 40 0 BHABMO CCC[C@H]1C[N@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000004725785 169528669 /nfs/dbraw/zinc/52/86/69/169528669.db2.gz YOJMHIPQKWYITI-IUODEOHRSA-N 1 1 219.372 3.751 40 0 BHABMO CCC[C@H]1C[N@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725786 346251452 /nfs/dbraw/zinc/25/14/52/346251452.db2.gz YOJMHIPQKWYITI-DOMZBBRYSA-N 1 1 219.372 3.751 40 0 BHABMO CCC[C@@H]1C[N@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725787 169422646 /nfs/dbraw/zinc/42/26/46/169422646.db2.gz YOJMHIPQKWYITI-WFASDCNBSA-N 1 1 219.372 3.751 40 0 BHABMO C[C@@H]1CCCCC[N@H+]1CCC(=O)c1ccccc1 ZINC000004791870 176063237 /nfs/dbraw/zinc/06/32/37/176063237.db2.gz RLMINDYHWVAVES-CQSZACIVSA-N 1 1 245.366 3.524 40 0 BHABMO C[N@@H+](C/C=C\c1ccccc1)Cc1ccccc1 ZINC000004801947 346606641 /nfs/dbraw/zinc/60/66/41/346606641.db2.gz VCFSFBCCSGVCHZ-JYRVWZFOSA-N 1 1 237.346 3.832 40 0 BHABMO CCCC[C@@H]1CCCC[N@H+]1CSCC ZINC000004918471 342754375 /nfs/dbraw/zinc/75/43/75/342754375.db2.gz KUGLYLDXKDHJTM-GFCCVEGCSA-N 1 1 215.406 3.742 40 0 BHABMO C(=C\c1cccs1)\C[N@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934848 166228430 /nfs/dbraw/zinc/22/84/30/166228430.db2.gz NOUVOGYXXQBAOA-NVHSALIHSA-N 1 1 247.407 3.883 40 0 BHABMO CCC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000005521540 384118755 /nfs/dbraw/zinc/11/87/55/384118755.db2.gz XDFBYVHAQLXSTC-OAHLLOKOSA-N 1 1 217.356 3.841 40 0 BHABMO CCCCO[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000005553084 342765937 /nfs/dbraw/zinc/76/59/37/342765937.db2.gz RXVXIYHFUSOSMY-INIZCTEOSA-N 1 1 247.382 3.988 40 0 BHABMO C1S[C@H]2CCCC[C@@H]2[N@H+]1C1CCCCC1 ZINC000005566734 187247503 /nfs/dbraw/zinc/24/75/03/187247503.db2.gz TZSFURNFVAKOAH-STQMWFEESA-N 1 1 225.401 3.637 40 0 BHABMO C[N@@H+]1CC=C(/C=C/c2ccc(Cl)cc2)CC1 ZINC000005718770 384126370 /nfs/dbraw/zinc/12/63/70/384126370.db2.gz OHEYIFBZNQMNES-NSCUHMNNSA-N 1 1 233.742 3.615 40 0 BHABMO CC[N@@H+](C)[C@H](Cc1ccccc1)c1ccccc1 ZINC000006381696 342777195 /nfs/dbraw/zinc/77/71/95/342777195.db2.gz MJDUDHAPJCKZPF-QGZVFWFLSA-N 1 1 239.362 3.922 40 0 BHABMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccccc1 ZINC000006437399 342777923 /nfs/dbraw/zinc/77/79/23/342777923.db2.gz VCFSFBCCSGVCHZ-MDWZMJQESA-N 1 1 237.346 3.832 40 0 BHABMO COC1=CCC2=C(CC[C@H]3[C@@H]2CC[P@H+]3C)C1 ZINC000008659486 174014897 /nfs/dbraw/zinc/01/48/97/174014897.db2.gz YFYMSVMYOAVXAO-CNYCQXTOSA-N 1 1 236.295 3.901 40 0 BHABMO COC1=CCC2=C(CC[C@H]3[C@@H]2CC[P@@H+]3C)C1 ZINC000008659486 174014895 /nfs/dbraw/zinc/01/48/95/174014895.db2.gz YFYMSVMYOAVXAO-CNYCQXTOSA-N 1 1 236.295 3.901 40 0 BHABMO c1ccc2[nH+]c(NCCC3=CCCCC3)[nH]c2c1 ZINC000008701458 187249317 /nfs/dbraw/zinc/24/93/17/187249317.db2.gz BGGAKKUWBLDYHL-UHFFFAOYSA-N 1 1 241.338 3.865 40 0 BHABMO Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000013281815 180270072 /nfs/dbraw/zinc/27/00/72/180270072.db2.gz SGIREQMUUVAAKH-UHFFFAOYSA-N 1 1 241.121 3.547 40 0 BHABMO CC(C)Nc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000016575493 167149898 /nfs/dbraw/zinc/14/98/98/167149898.db2.gz UJZLEUQGTILGOG-UHFFFAOYSA-N 1 1 244.125 3.690 40 0 BHABMO COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[P@H+]3C)C1 ZINC000017130773 174013872 /nfs/dbraw/zinc/01/38/72/174013872.db2.gz YFYMSVMYOAVXAO-UIDSBSESSA-N 1 1 236.295 3.901 40 0 BHABMO COC1=CCC2=C(CC[C@@H]3[C@@H]2CC[P@@H+]3C)C1 ZINC000017130773 174013869 /nfs/dbraw/zinc/01/38/69/174013869.db2.gz YFYMSVMYOAVXAO-UIDSBSESSA-N 1 1 236.295 3.901 40 0 BHABMO COC1=CCC2=C(CC[C@@H]3[C@H]2CC[P@H+]3C)C1 ZINC000017130775 174014157 /nfs/dbraw/zinc/01/41/57/174014157.db2.gz YFYMSVMYOAVXAO-NNKZFNQJSA-N 1 1 236.295 3.901 40 0 BHABMO COC1=CCC2=C(CC[C@@H]3[C@H]2CC[P@@H+]3C)C1 ZINC000017130775 174014155 /nfs/dbraw/zinc/01/41/55/174014155.db2.gz YFYMSVMYOAVXAO-NNKZFNQJSA-N 1 1 236.295 3.901 40 0 BHABMO [NH2+]=C(Nc1ccc(F)cc1)c1ccccc1Cl ZINC000019202381 181200415 /nfs/dbraw/zinc/20/04/15/181200415.db2.gz KLNRCKURWBCXBN-UHFFFAOYSA-N 1 1 248.688 3.917 40 0 BHABMO CCCCN(CCCC)CC1([NH3+])CCCCC1 ZINC000020485750 388772943 /nfs/dbraw/zinc/77/29/43/388772943.db2.gz PXZIVTJHGKICMU-UHFFFAOYSA-N 1 1 240.435 3.550 40 0 BHABMO CC(C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000020558761 167148757 /nfs/dbraw/zinc/14/87/57/167148757.db2.gz IUBOTNXWWJRACZ-UHFFFAOYSA-N 1 1 220.703 3.709 40 0 BHABMO Cc1ccc2[nH+]c(Nc3cccc(C)c3)[nH]c2c1 ZINC000026474262 179158411 /nfs/dbraw/zinc/15/84/11/179158411.db2.gz VYTDFQWCXBANTG-UHFFFAOYSA-N 1 1 237.306 3.923 40 0 BHABMO [NH2+]=C(Nc1ccccc1)c1ccccc1Cl ZINC000031571831 181199657 /nfs/dbraw/zinc/19/96/57/181199657.db2.gz FMRPAAQOMPCOPX-UHFFFAOYSA-N 1 1 230.698 3.777 40 0 BHABMO c1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cc1 ZINC000034511489 385284682 /nfs/dbraw/zinc/28/46/82/385284682.db2.gz TWQZMFJJYHNANK-IYBDPMFKSA-N 1 1 249.357 3.773 40 0 BHABMO Nc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC000041720164 386199978 /nfs/dbraw/zinc/19/99/78/386199978.db2.gz NPXXWYSQFWZNID-UHFFFAOYSA-N 1 1 235.290 3.561 40 0 BHABMO Cc1cc[nH+]c(N[C@@H](C)c2ccccc2)c1 ZINC000043561394 384432272 /nfs/dbraw/zinc/43/22/72/384432272.db2.gz XWUGNHOKRMMXKF-LBPRGKRZSA-N 1 1 212.296 3.563 40 0 BHABMO Cc1cc[nH+]c(N[C@H](C)c2ccccc2)c1 ZINC000043561395 384431566 /nfs/dbraw/zinc/43/15/66/384431566.db2.gz XWUGNHOKRMMXKF-GFCCVEGCSA-N 1 1 212.296 3.563 40 0 BHABMO Cc1cc[nH+]c(N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000043561420 384431788 /nfs/dbraw/zinc/43/17/88/384431788.db2.gz GPWLGEIJLOOIKO-RWMBFGLXSA-N 1 1 218.344 3.627 40 0 BHABMO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000043561422 179456002 /nfs/dbraw/zinc/45/60/02/179456002.db2.gz GPWLGEIJLOOIKO-FRRDWIJNSA-N 1 1 218.344 3.627 40 0 BHABMO Cc1nc2ccc(-c3ccccc3)cc2[nH]1 ZINC000044606522 352373483 /nfs/dbraw/zinc/37/34/83/352373483.db2.gz OFUGVTJPQLMELN-UHFFFAOYSA-N 1 1 208.264 3.538 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046089421 353413019 /nfs/dbraw/zinc/41/30/19/353413019.db2.gz OMQMJXFYYDKGDE-GFCCVEGCSA-N 1 1 209.358 3.541 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046089422 166969146 /nfs/dbraw/zinc/96/91/46/166969146.db2.gz OMQMJXFYYDKGDE-LBPRGKRZSA-N 1 1 209.358 3.541 40 0 BHABMO Cc1cc[nH+]c(NCc2ccccc2Cl)c1 ZINC000049942919 388652141 /nfs/dbraw/zinc/65/21/41/388652141.db2.gz RNAIZPHMIXDXKV-UHFFFAOYSA-N 1 1 232.714 3.656 40 0 BHABMO Cc1cc[nH+]c(NCc2cccc(Cl)c2)c1 ZINC000049942921 384438496 /nfs/dbraw/zinc/43/84/96/384438496.db2.gz GZBCGQMTROMNRT-UHFFFAOYSA-N 1 1 232.714 3.656 40 0 BHABMO Cc1cc[nH+]c(N[C@@H]2CCCc3ccccc32)c1 ZINC000051632621 344095627 /nfs/dbraw/zinc/09/56/27/344095627.db2.gz GOIZRFYECHRZMA-OAHLLOKOSA-N 1 1 238.334 3.880 40 0 BHABMO Cc1cc[nH+]c(N[C@H]2CCCc3ccccc32)c1 ZINC000051632623 344095693 /nfs/dbraw/zinc/09/56/93/344095693.db2.gz GOIZRFYECHRZMA-HNNXBMFYSA-N 1 1 238.334 3.880 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053906501 359025025 /nfs/dbraw/zinc/02/50/25/359025025.db2.gz QLPDHJMLMSWSLX-LLVKDONJSA-N 1 1 209.358 3.541 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053906502 359025289 /nfs/dbraw/zinc/02/52/89/359025289.db2.gz QLPDHJMLMSWSLX-NSHDSACASA-N 1 1 209.358 3.541 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000055506560 388599253 /nfs/dbraw/zinc/59/92/53/388599253.db2.gz HBZUPTIWEYOREF-CQSZACIVSA-N 1 1 221.319 3.619 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000055506563 388599248 /nfs/dbraw/zinc/59/92/48/388599248.db2.gz HBZUPTIWEYOREF-AWEZNQCLSA-N 1 1 221.319 3.619 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000057566670 388628434 /nfs/dbraw/zinc/62/84/34/388628434.db2.gz ANKFKDRDCMJXMR-OAHLLOKOSA-N 1 1 233.355 3.632 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000057566672 388628543 /nfs/dbraw/zinc/62/85/43/388628543.db2.gz ANKFKDRDCMJXMR-HNNXBMFYSA-N 1 1 233.355 3.632 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000057598263 259395639 /nfs/dbraw/zinc/39/56/39/259395639.db2.gz REFFIMXEEJORBS-LLVKDONJSA-N 1 1 209.358 3.685 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000057598265 259395547 /nfs/dbraw/zinc/39/55/47/259395547.db2.gz REFFIMXEEJORBS-NSHDSACASA-N 1 1 209.358 3.685 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000060974656 369571998 /nfs/dbraw/zinc/57/19/98/369571998.db2.gz VSMDWGGJOSCXBM-AWEZNQCLSA-N 1 1 221.319 3.763 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000060997092 369580236 /nfs/dbraw/zinc/58/02/36/369580236.db2.gz JDDFGCZBYFSKCW-LBPRGKRZSA-N 1 1 209.358 3.685 40 0 BHABMO Cc1cccc2c(Nc3cccc(N)c3)cc[nH+]c12 ZINC000064875391 388672418 /nfs/dbraw/zinc/67/24/18/388672418.db2.gz CXRBORNAYKYEGP-UHFFFAOYSA-N 1 1 249.317 3.869 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069611135 384068642 /nfs/dbraw/zinc/06/86/42/384068642.db2.gz FAFPPGFKFQKBDL-CQSZACIVSA-N 1 1 233.355 3.632 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1ccccc1OC ZINC000069611136 384068110 /nfs/dbraw/zinc/06/81/10/384068110.db2.gz FAFPPGFKFQKBDL-AWEZNQCLSA-N 1 1 233.355 3.632 40 0 BHABMO Cc1cccc([C@@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000072211099 259317426 /nfs/dbraw/zinc/31/74/26/259317426.db2.gz NXRZHABZPAFDBU-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1cccc([C@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000072211100 259317262 /nfs/dbraw/zinc/31/72/62/259317262.db2.gz NXRZHABZPAFDBU-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1cccc(C)n1 ZINC000072211101 259317445 /nfs/dbraw/zinc/31/74/45/259317445.db2.gz NWXKSMZTTUNTSF-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1cccc(C)n1 ZINC000072211102 259317451 /nfs/dbraw/zinc/31/74/51/259317451.db2.gz NWXKSMZTTUNTSF-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1cccnc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072211153 385068670 /nfs/dbraw/zinc/06/86/70/385068670.db2.gz HTJMGLOTYNMOAC-AWEZNQCLSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1cccnc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072211154 385068605 /nfs/dbraw/zinc/06/86/05/385068605.db2.gz HTJMGLOTYNMOAC-CQSZACIVSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ncccc1C ZINC000072211155 385068168 /nfs/dbraw/zinc/06/81/68/385068168.db2.gz MHPNCAYNJNRUSS-CQSZACIVSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ncccc1C ZINC000072211156 385067843 /nfs/dbraw/zinc/06/78/43/385067843.db2.gz MHPNCAYNJNRUSS-AWEZNQCLSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1ccnc([C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072211207 385067924 /nfs/dbraw/zinc/06/79/24/385067924.db2.gz YUTYBGGZMFBHAE-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1ccnc([C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072211208 385067939 /nfs/dbraw/zinc/06/79/39/385067939.db2.gz YUTYBGGZMFBHAE-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1cc(C)ccn1 ZINC000072211209 259317457 /nfs/dbraw/zinc/31/74/57/259317457.db2.gz FNMOEAKUEWJSGG-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1cc(C)ccn1 ZINC000072211210 259317476 /nfs/dbraw/zinc/31/74/76/259317476.db2.gz FNMOEAKUEWJSGG-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1ccc([C@@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211258 385067955 /nfs/dbraw/zinc/06/79/55/385067955.db2.gz AKYOGOMCJMITRR-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1ccc([C@H]2CCCC[N@@H+]2CC(C)C)cn1 ZINC000072211259 259524330 /nfs/dbraw/zinc/52/43/30/259524330.db2.gz AKYOGOMCJMITRR-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(C)nc1 ZINC000072211260 385067234 /nfs/dbraw/zinc/06/72/34/385067234.db2.gz FDGOZPQHNTXLII-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(C)nc1 ZINC000072211261 385067064 /nfs/dbraw/zinc/06/70/64/385067064.db2.gz FDGOZPQHNTXLII-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1ncccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072211310 385071326 /nfs/dbraw/zinc/07/13/26/385071326.db2.gz XMCZRINOSPUDPS-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1ncccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072211311 385072670 /nfs/dbraw/zinc/07/26/70/385072670.db2.gz XMCZRINOSPUDPS-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1C ZINC000072211312 385070626 /nfs/dbraw/zinc/07/06/26/385070626.db2.gz FIBBYERWLMLCKD-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1C ZINC000072211313 385070846 /nfs/dbraw/zinc/07/08/46/385070846.db2.gz FIBBYERWLMLCKD-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1cncc([C@@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072211362 385071338 /nfs/dbraw/zinc/07/13/38/385071338.db2.gz MCENCINDEHZVRZ-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1cncc([C@H]2CCCC[N@@H+]2CC(C)C)c1 ZINC000072211363 385071235 /nfs/dbraw/zinc/07/12/35/385071235.db2.gz MCENCINDEHZVRZ-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1cncc(C)c1 ZINC000072211364 385070821 /nfs/dbraw/zinc/07/08/21/385070821.db2.gz CYIXHDHQJDPWKF-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1cncc(C)c1 ZINC000072211365 385072876 /nfs/dbraw/zinc/07/28/76/385072876.db2.gz CYIXHDHQJDPWKF-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1ccncc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072211417 385070958 /nfs/dbraw/zinc/07/09/58/385070958.db2.gz VMHZWGNYISQLJF-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1ccncc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072211418 385070322 /nfs/dbraw/zinc/07/03/22/385070322.db2.gz VMHZWGNYISQLJF-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1cnccc1C ZINC000072211419 385071585 /nfs/dbraw/zinc/07/15/85/385071585.db2.gz JVQMNDZATYMDHT-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1cnccc1C ZINC000072211420 385071248 /nfs/dbraw/zinc/07/12/48/385071248.db2.gz JVQMNDZATYMDHT-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211454 385072792 /nfs/dbraw/zinc/07/27/92/385072792.db2.gz GWWSGFICKUUJQA-GFCCVEGCSA-N 1 1 238.762 3.528 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(Cl)nc1 ZINC000072211455 385070424 /nfs/dbraw/zinc/07/04/24/385070424.db2.gz GWWSGFICKUUJQA-LBPRGKRZSA-N 1 1 238.762 3.528 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211456 385072361 /nfs/dbraw/zinc/07/23/61/385072361.db2.gz SQIYYWRJZUTRCS-GFCCVEGCSA-N 1 1 238.762 3.672 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1ccc(Cl)nc1 ZINC000072211457 385072445 /nfs/dbraw/zinc/07/24/45/385072445.db2.gz SQIYYWRJZUTRCS-LBPRGKRZSA-N 1 1 238.762 3.672 40 0 BHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000072211463 385072717 /nfs/dbraw/zinc/07/27/17/385072717.db2.gz PWCNXYHYCTWNHX-GFCCVEGCSA-N 1 1 238.762 3.670 40 0 BHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000072211464 385073169 /nfs/dbraw/zinc/07/31/69/385073169.db2.gz PWCNXYHYCTWNHX-LBPRGKRZSA-N 1 1 238.762 3.670 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1Cl ZINC000072211502 385072985 /nfs/dbraw/zinc/07/29/85/385072985.db2.gz HXJDLSNAEFMBIS-GFCCVEGCSA-N 1 1 238.762 3.528 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1Cl ZINC000072211503 385070340 /nfs/dbraw/zinc/07/03/40/385070340.db2.gz HXJDLSNAEFMBIS-LBPRGKRZSA-N 1 1 238.762 3.528 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1Cl ZINC000072211504 385072248 /nfs/dbraw/zinc/07/22/48/385072248.db2.gz KYCUNBFEYSZCIC-GFCCVEGCSA-N 1 1 238.762 3.672 40 0 BHABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1Cl ZINC000072211505 385072557 /nfs/dbraw/zinc/07/25/57/385072557.db2.gz KYCUNBFEYSZCIC-LBPRGKRZSA-N 1 1 238.762 3.672 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211515 385071453 /nfs/dbraw/zinc/07/14/53/385071453.db2.gz QZVFCBZFIBATSI-GFCCVEGCSA-N 1 1 238.762 3.672 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211516 385071641 /nfs/dbraw/zinc/07/16/41/385071641.db2.gz QZVFCBZFIBATSI-LBPRGKRZSA-N 1 1 238.762 3.672 40 0 BHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1Cl ZINC000072211517 385070739 /nfs/dbraw/zinc/07/07/39/385070739.db2.gz AKJQLOFAPSLXDQ-GFCCVEGCSA-N 1 1 238.762 3.670 40 0 BHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1Cl ZINC000072211518 385072077 /nfs/dbraw/zinc/07/20/77/385072077.db2.gz AKJQLOFAPSLXDQ-LBPRGKRZSA-N 1 1 238.762 3.670 40 0 BHABMO Cc1cc([C@@H]2CCC[N@@H+]2C(C)C)cnc1Cl ZINC000072217779 259318112 /nfs/dbraw/zinc/31/81/12/259318112.db2.gz VBMFAOYEHRNFMS-LBPRGKRZSA-N 1 1 238.762 3.589 40 0 BHABMO Cc1cc([C@H]2CCC[N@@H+]2C(C)C)cnc1Cl ZINC000072217780 259318161 /nfs/dbraw/zinc/31/81/61/259318161.db2.gz VBMFAOYEHRNFMS-GFCCVEGCSA-N 1 1 238.762 3.589 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217781 259318106 /nfs/dbraw/zinc/31/81/06/259318106.db2.gz ALEHXIXZDPGGKT-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217782 259318140 /nfs/dbraw/zinc/31/81/40/259318140.db2.gz ALEHXIXZDPGGKT-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(Cl)c(C)c1 ZINC000072217796 259528803 /nfs/dbraw/zinc/52/88/03/259528803.db2.gz QOIXBBOWVPSHNC-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1cnc(Cl)c(C)c1 ZINC000072217797 385093106 /nfs/dbraw/zinc/09/31/06/385093106.db2.gz QOIXBBOWVPSHNC-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO Cc1cc(Cl)ncc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072217839 385094761 /nfs/dbraw/zinc/09/47/61/385094761.db2.gz ULNDSWTUYCGMJM-LBPRGKRZSA-N 1 1 238.762 3.589 40 0 BHABMO Cc1cc(Cl)ncc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072217840 385093234 /nfs/dbraw/zinc/09/32/34/385093234.db2.gz ULNDSWTUYCGMJM-GFCCVEGCSA-N 1 1 238.762 3.589 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217841 385092590 /nfs/dbraw/zinc/09/25/90/385092590.db2.gz JQOPBKJSZXDEGW-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1cnc(Cl)cc1C ZINC000072217842 385094900 /nfs/dbraw/zinc/09/49/00/385094900.db2.gz JQOPBKJSZXDEGW-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1cnc(Cl)cc1C ZINC000072217856 385093128 /nfs/dbraw/zinc/09/31/28/385093128.db2.gz LFJIQHTZYVLMFC-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1cnc(Cl)cc1C ZINC000072217857 385093279 /nfs/dbraw/zinc/09/32/79/385093279.db2.gz LFJIQHTZYVLMFC-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO Cc1nc(Cl)ccc1[C@@H]1CCC[N@@H+]1C(C)C ZINC000072217899 385095141 /nfs/dbraw/zinc/09/51/41/385095141.db2.gz HIDTXZYYWFIPKY-LBPRGKRZSA-N 1 1 238.762 3.589 40 0 BHABMO Cc1nc(Cl)ccc1[C@H]1CCC[N@@H+]1C(C)C ZINC000072217900 385093820 /nfs/dbraw/zinc/09/38/20/385093820.db2.gz HIDTXZYYWFIPKY-GFCCVEGCSA-N 1 1 238.762 3.589 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217901 259528732 /nfs/dbraw/zinc/52/87/32/259528732.db2.gz RBRUFXMLOWDDFB-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1ccc(Cl)nc1C ZINC000072217902 385094583 /nfs/dbraw/zinc/09/45/83/385094583.db2.gz RBRUFXMLOWDDFB-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1ccc(Cl)nc1C ZINC000072217916 385094601 /nfs/dbraw/zinc/09/46/01/385094601.db2.gz NAOIBKBNTKJQDZ-GFCCVEGCSA-N 1 1 238.762 3.590 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1ccc(Cl)nc1C ZINC000072217917 385092680 /nfs/dbraw/zinc/09/26/80/385092680.db2.gz NAOIBKBNTKJQDZ-LBPRGKRZSA-N 1 1 238.762 3.590 40 0 BHABMO Cc1cc([C@@H]2CCCC[N@@H+]2CC(C)C)ccn1 ZINC000072219479 259318887 /nfs/dbraw/zinc/31/88/87/259318887.db2.gz LVLUWRCLFFPLQP-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1cc([C@H]2CCCC[N@@H+]2CC(C)C)ccn1 ZINC000072219480 259318816 /nfs/dbraw/zinc/31/88/16/259318816.db2.gz LVLUWRCLFFPLQP-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccnc(C)c1 ZINC000072219481 259318853 /nfs/dbraw/zinc/31/88/53/259318853.db2.gz UAILTRSFPFTYHK-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ccnc(C)c1 ZINC000072219482 259318721 /nfs/dbraw/zinc/31/87/21/259318721.db2.gz UAILTRSFPFTYHK-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO Cc1cnccc1[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000072219535 259530559 /nfs/dbraw/zinc/53/05/59/259530559.db2.gz LNWPSGXPRFQEGT-HNNXBMFYSA-N 1 1 232.371 3.573 40 0 BHABMO Cc1cnccc1[C@H]1CCCC[N@@H+]1CC(C)C ZINC000072219536 259530573 /nfs/dbraw/zinc/53/05/73/259530573.db2.gz LNWPSGXPRFQEGT-OAHLLOKOSA-N 1 1 232.371 3.573 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccncc1C ZINC000072219537 388615012 /nfs/dbraw/zinc/61/50/12/388615012.db2.gz LJWOZEYLZPJAAA-OAHLLOKOSA-N 1 1 232.371 3.717 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ccncc1C ZINC000072219538 259319054 /nfs/dbraw/zinc/31/90/54/259319054.db2.gz LJWOZEYLZPJAAA-HNNXBMFYSA-N 1 1 232.371 3.717 40 0 BHABMO CC(C)[N@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219566 385106562 /nfs/dbraw/zinc/10/65/62/385106562.db2.gz ISVVHSDJIYIBQN-MRXNPFEDSA-N 1 1 240.350 3.780 40 0 BHABMO CC(C)[N@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000072219567 385108225 /nfs/dbraw/zinc/10/82/25/385108225.db2.gz ISVVHSDJIYIBQN-INIZCTEOSA-N 1 1 240.350 3.780 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219568 385107180 /nfs/dbraw/zinc/10/71/80/385107180.db2.gz CKJMSXCJWVKHAR-MRXNPFEDSA-N 1 1 240.350 3.782 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000072219569 385107076 /nfs/dbraw/zinc/10/70/76/385107076.db2.gz CKJMSXCJWVKHAR-INIZCTEOSA-N 1 1 240.350 3.782 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1cnc2ccccc2c1 ZINC000072219581 385107631 /nfs/dbraw/zinc/10/76/31/385107631.db2.gz JRCLBUKTINLEGR-MRXNPFEDSA-N 1 1 240.350 3.782 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1cnc2ccccc2c1 ZINC000072219582 385106600 /nfs/dbraw/zinc/10/66/00/385106600.db2.gz JRCLBUKTINLEGR-INIZCTEOSA-N 1 1 240.350 3.782 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000072221477 259531000 /nfs/dbraw/zinc/53/10/00/259531000.db2.gz LZIHGLHZDYUAMJ-CQSZACIVSA-N 1 1 233.355 3.632 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1ccccc1OC ZINC000072221478 385107541 /nfs/dbraw/zinc/10/75/41/385107541.db2.gz LZIHGLHZDYUAMJ-AWEZNQCLSA-N 1 1 233.355 3.632 40 0 BHABMO COc1ccccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072221479 385108077 /nfs/dbraw/zinc/10/80/77/385108077.db2.gz VHZMEPQWDUMBMJ-CQSZACIVSA-N 1 1 233.355 3.631 40 0 BHABMO COc1ccccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072221480 385107437 /nfs/dbraw/zinc/10/74/37/385107437.db2.gz VHZMEPQWDUMBMJ-AWEZNQCLSA-N 1 1 233.355 3.631 40 0 BHABMO COc1ccccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072221481 385106310 /nfs/dbraw/zinc/10/63/10/385106310.db2.gz FTMUKZFSVZCCFR-OAHLLOKOSA-N 1 1 247.382 3.878 40 0 BHABMO COc1ccccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072221482 385108144 /nfs/dbraw/zinc/10/81/44/385108144.db2.gz FTMUKZFSVZCCFR-HNNXBMFYSA-N 1 1 247.382 3.878 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(OC)cc1 ZINC000072221513 385107871 /nfs/dbraw/zinc/10/78/71/385107871.db2.gz NSGULPXWKNJHHW-OAHLLOKOSA-N 1 1 233.355 3.632 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(OC)cc1 ZINC000072221514 385107097 /nfs/dbraw/zinc/10/70/97/385107097.db2.gz NSGULPXWKNJHHW-HNNXBMFYSA-N 1 1 233.355 3.632 40 0 BHABMO COc1ccc([C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000072221515 385106660 /nfs/dbraw/zinc/10/66/60/385106660.db2.gz IIKKDXLTPBJVHS-OAHLLOKOSA-N 1 1 233.355 3.631 40 0 BHABMO COc1ccc([C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC000072221516 385107676 /nfs/dbraw/zinc/10/76/76/385107676.db2.gz IIKKDXLTPBJVHS-HNNXBMFYSA-N 1 1 233.355 3.631 40 0 BHABMO COc1ccc([C@H]2CCCC[N@H+]2CC(C)C)cc1 ZINC000072221517 385106402 /nfs/dbraw/zinc/10/64/02/385106402.db2.gz SEDXZDJNRXSKSE-MRXNPFEDSA-N 1 1 247.382 3.878 40 0 BHABMO COc1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cc1 ZINC000072221518 385106268 /nfs/dbraw/zinc/10/62/68/385106268.db2.gz SEDXZDJNRXSKSE-INIZCTEOSA-N 1 1 247.382 3.878 40 0 BHABMO c1coc([C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072221536 344514979 /nfs/dbraw/zinc/51/49/79/344514979.db2.gz YJTDMVSOVQMGGB-CQSZACIVSA-N 1 1 227.307 3.617 40 0 BHABMO c1coc([C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000072221537 344515076 /nfs/dbraw/zinc/51/50/76/344515076.db2.gz YJTDMVSOVQMGGB-AWEZNQCLSA-N 1 1 227.307 3.617 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000072221565 259320116 /nfs/dbraw/zinc/32/01/16/259320116.db2.gz HTLJCKNFRYGEJW-GFCCVEGCSA-N 1 1 207.317 3.607 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ccco1 ZINC000072221566 259320378 /nfs/dbraw/zinc/32/03/78/259320378.db2.gz HTLJCKNFRYGEJW-LBPRGKRZSA-N 1 1 207.317 3.607 40 0 BHABMO c1cc([C@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000072221588 385106250 /nfs/dbraw/zinc/10/62/50/385106250.db2.gz ICTXNHNUHBWSDG-OAHLLOKOSA-N 1 1 227.307 3.617 40 0 BHABMO c1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC000072221589 259320185 /nfs/dbraw/zinc/32/01/85/259320185.db2.gz ICTXNHNUHBWSDG-HNNXBMFYSA-N 1 1 227.307 3.617 40 0 BHABMO CCCC[N@H+]1CCCC[C@@H]1c1ccoc1 ZINC000072221620 259320365 /nfs/dbraw/zinc/32/03/65/259320365.db2.gz CCLZNWWRBMWABN-CYBMUJFWSA-N 1 1 207.317 3.607 40 0 BHABMO CCCC[N@H+]1CCCC[C@H]1c1ccoc1 ZINC000072221621 259320139 /nfs/dbraw/zinc/32/01/39/259320139.db2.gz CCLZNWWRBMWABN-ZDUSSCGKSA-N 1 1 207.317 3.607 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221652 385106509 /nfs/dbraw/zinc/10/65/09/385106509.db2.gz HLXFEGNYGCEJHL-LLVKDONJSA-N 1 1 209.358 3.685 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1cccs1 ZINC000072221653 385108089 /nfs/dbraw/zinc/10/80/89/385108089.db2.gz HLXFEGNYGCEJHL-NSHDSACASA-N 1 1 209.358 3.685 40 0 BHABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221654 385108063 /nfs/dbraw/zinc/10/80/63/385108063.db2.gz XPSOFLLLDZEUSQ-LLVKDONJSA-N 1 1 209.358 3.684 40 0 BHABMO CC(C)[N@H+]1CCCC[C@H]1c1cccs1 ZINC000072221655 385107913 /nfs/dbraw/zinc/10/79/13/385107913.db2.gz XPSOFLLLDZEUSQ-NSHDSACASA-N 1 1 209.358 3.684 40 0 BHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccs1 ZINC000072221656 385107319 /nfs/dbraw/zinc/10/73/19/385107319.db2.gz VDQZQDWAUZJRJY-GFCCVEGCSA-N 1 1 223.385 3.931 40 0 BHABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccs1 ZINC000072221657 259531116 /nfs/dbraw/zinc/53/11/16/259531116.db2.gz VDQZQDWAUZJRJY-LBPRGKRZSA-N 1 1 223.385 3.931 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000072221686 344514840 /nfs/dbraw/zinc/51/48/40/344514840.db2.gz JDDFGCZBYFSKCW-GFCCVEGCSA-N 1 1 209.358 3.685 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221692 385108117 /nfs/dbraw/zinc/10/81/17/385108117.db2.gz XIRXKGHDDRYGOJ-GFCCVEGCSA-N 1 1 209.358 3.685 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221693 385108237 /nfs/dbraw/zinc/10/82/37/385108237.db2.gz XIRXKGHDDRYGOJ-LBPRGKRZSA-N 1 1 209.358 3.685 40 0 BHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221694 385107753 /nfs/dbraw/zinc/10/77/53/385107753.db2.gz XDWURTZLUOMFMX-GFCCVEGCSA-N 1 1 209.358 3.684 40 0 BHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221695 385108331 /nfs/dbraw/zinc/10/83/31/385108331.db2.gz XDWURTZLUOMFMX-LBPRGKRZSA-N 1 1 209.358 3.684 40 0 BHABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccsc1 ZINC000072221696 259531022 /nfs/dbraw/zinc/53/10/22/259531022.db2.gz UHRWFTYPJZFZRI-CYBMUJFWSA-N 1 1 223.385 3.931 40 0 BHABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccsc1 ZINC000072221697 259320136 /nfs/dbraw/zinc/32/01/36/259320136.db2.gz UHRWFTYPJZFZRI-ZDUSSCGKSA-N 1 1 223.385 3.931 40 0 BHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221731 385109711 /nfs/dbraw/zinc/10/97/11/385109711.db2.gz FFUGSVFJRHRXRJ-OAHLLOKOSA-N 1 1 228.339 3.713 40 0 BHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221732 259530777 /nfs/dbraw/zinc/53/07/77/259530777.db2.gz FFUGSVFJRHRXRJ-HNNXBMFYSA-N 1 1 228.339 3.713 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221733 385110845 /nfs/dbraw/zinc/11/08/45/385110845.db2.gz MKYDDJGRPPDIMQ-OAHLLOKOSA-N 1 1 228.339 3.715 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221734 385111084 /nfs/dbraw/zinc/11/10/84/385111084.db2.gz MKYDDJGRPPDIMQ-HNNXBMFYSA-N 1 1 228.339 3.715 40 0 BHABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221735 259319947 /nfs/dbraw/zinc/31/99/47/259319947.db2.gz AUHZPHYUPZUMQH-MRXNPFEDSA-N 1 1 242.366 3.961 40 0 BHABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221736 259319976 /nfs/dbraw/zinc/31/99/76/259319976.db2.gz AUHZPHYUPZUMQH-INIZCTEOSA-N 1 1 242.366 3.961 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1ccc2[nH]ccc2c1 ZINC000072221748 259530990 /nfs/dbraw/zinc/53/09/90/259530990.db2.gz NJPACXYOVHXRTC-OAHLLOKOSA-N 1 1 228.339 3.715 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1ccc2[nH]ccc2c1 ZINC000072221749 385109753 /nfs/dbraw/zinc/10/97/53/385109753.db2.gz NJPACXYOVHXRTC-HNNXBMFYSA-N 1 1 228.339 3.715 40 0 BHABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221786 385110990 /nfs/dbraw/zinc/11/09/90/385110990.db2.gz JVGWYNNCLOPTGP-MRXNPFEDSA-N 1 1 240.350 3.780 40 0 BHABMO CC(C)[N@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000072221787 385110116 /nfs/dbraw/zinc/11/01/16/385110116.db2.gz JVGWYNNCLOPTGP-INIZCTEOSA-N 1 1 240.350 3.780 40 0 BHABMO CCC[N@H+]1CCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221788 385110053 /nfs/dbraw/zinc/11/00/53/385110053.db2.gz AXEXPZHMHALWFJ-MRXNPFEDSA-N 1 1 240.350 3.782 40 0 BHABMO CCC[N@H+]1CCC[C@H]1c1ccc2ncccc2c1 ZINC000072221789 385109927 /nfs/dbraw/zinc/10/99/27/385109927.db2.gz AXEXPZHMHALWFJ-INIZCTEOSA-N 1 1 240.350 3.782 40 0 BHABMO CC[N@H+]1CCCC[C@@H]1c1ccc2ncccc2c1 ZINC000072221803 259320346 /nfs/dbraw/zinc/32/03/46/259320346.db2.gz WWRUEKJCDZZMQJ-MRXNPFEDSA-N 1 1 240.350 3.782 40 0 BHABMO CC[N@H+]1CCCC[C@H]1c1ccc2ncccc2c1 ZINC000072221804 259320374 /nfs/dbraw/zinc/32/03/74/259320374.db2.gz WWRUEKJCDZZMQJ-INIZCTEOSA-N 1 1 240.350 3.782 40 0 BHABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000072221840 259319921 /nfs/dbraw/zinc/31/99/21/259319921.db2.gz VSMDWGGJOSCXBM-CQSZACIVSA-N 1 1 221.319 3.763 40 0 BHABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221846 259319926 /nfs/dbraw/zinc/31/99/26/259319926.db2.gz MRWZAPZWMPVFRM-CQSZACIVSA-N 1 1 221.319 3.763 40 0 BHABMO CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221847 259320063 /nfs/dbraw/zinc/32/00/63/259320063.db2.gz MRWZAPZWMPVFRM-AWEZNQCLSA-N 1 1 221.319 3.763 40 0 BHABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000072221848 259320033 /nfs/dbraw/zinc/32/00/33/259320033.db2.gz FKSUKGOYZJUGNE-CQSZACIVSA-N 1 1 221.319 3.761 40 0 BHABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000072221849 259320261 /nfs/dbraw/zinc/32/02/61/259320261.db2.gz FKSUKGOYZJUGNE-AWEZNQCLSA-N 1 1 221.319 3.761 40 0 BHABMO C=Cc1c[nH+]c(N(CCC)CCC)cc1C ZINC000072223299 385112335 /nfs/dbraw/zinc/11/23/35/385112335.db2.gz CPEQHBYDNXIDMM-UHFFFAOYSA-N 1 1 218.344 3.659 40 0 BHABMO C=Cc1c[nH+]c(NCc2ccccc2)cc1C ZINC000072223380 385112343 /nfs/dbraw/zinc/11/23/43/385112343.db2.gz JSQYGNPDCIALEY-UHFFFAOYSA-N 1 1 224.307 3.645 40 0 BHABMO C=Cc1c[nH+]c(N(C)Cc2ccccc2)cc1C ZINC000072223407 385112194 /nfs/dbraw/zinc/11/21/94/385112194.db2.gz SQOBTJHHLBMNKO-UHFFFAOYSA-N 1 1 238.334 3.669 40 0 BHABMO C=Cc1ccc(N(CCC)CCC)[nH+]c1C ZINC000072224341 259321713 /nfs/dbraw/zinc/32/17/13/259321713.db2.gz QAHKOHWGYZGLKP-UHFFFAOYSA-N 1 1 218.344 3.659 40 0 BHABMO C=Cc1ccc(NCc2ccccc2)[nH+]c1C ZINC000072224422 385118334 /nfs/dbraw/zinc/11/83/34/385118334.db2.gz NUWSZEYTYXFILT-UHFFFAOYSA-N 1 1 224.307 3.645 40 0 BHABMO C=Cc1ccc(N(C)Cc2ccccc2)[nH+]c1C ZINC000072224449 385118054 /nfs/dbraw/zinc/11/80/54/385118054.db2.gz KRSAAKXNDNUKIM-UHFFFAOYSA-N 1 1 238.334 3.669 40 0 BHABMO CCCc1ccc(CNc2[nH+]cccc2C)cc1 ZINC000072226343 385125661 /nfs/dbraw/zinc/12/56/61/385125661.db2.gz OHUWYBCYJGGERX-UHFFFAOYSA-N 1 1 240.350 3.955 40 0 BHABMO CC(C)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000072344543 384207216 /nfs/dbraw/zinc/20/72/16/384207216.db2.gz JPCJXXVQCNRRPE-GFCCVEGCSA-N 1 1 246.379 3.842 40 0 BHABMO CC(C)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000072344544 188306621 /nfs/dbraw/zinc/30/66/21/188306621.db2.gz JPCJXXVQCNRRPE-LBPRGKRZSA-N 1 1 246.379 3.842 40 0 BHABMO Cc1ccc([C@@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC000072356820 384211655 /nfs/dbraw/zinc/21/16/55/384211655.db2.gz COMPITFZJNLWHT-CQSZACIVSA-N 1 1 244.382 3.512 40 0 BHABMO Cc1ccc([C@H]2CCC[N@H+](C3CCCC3)C2)nc1 ZINC000072356821 178919173 /nfs/dbraw/zinc/91/91/73/178919173.db2.gz COMPITFZJNLWHT-AWEZNQCLSA-N 1 1 244.382 3.512 40 0 BHABMO CCC[N@@H+](Cc1cccs1)Cc1cccnc1 ZINC000072398309 521690569 /nfs/dbraw/zinc/69/05/69/521690569.db2.gz LLQBQDJMGWVZII-UHFFFAOYSA-N 1 1 246.379 3.555 40 0 BHABMO C[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000075824426 384041840 /nfs/dbraw/zinc/04/18/40/384041840.db2.gz JLNXYERYHIEKKQ-UHFFFAOYSA-N 1 1 245.753 3.972 40 0 BHABMO CCOC(=[NH2+])c1ccc(C)c2ccccc12 ZINC000089211792 170180437 /nfs/dbraw/zinc/18/04/37/170180437.db2.gz VQRUMVLHUJTUSD-UHFFFAOYSA-N 1 1 213.280 3.510 40 0 BHABMO Cc1cc[nH+]c(Nc2ccc(Cl)cc2)c1 ZINC000169474246 134876893 /nfs/dbraw/zinc/87/68/93/134876893.db2.gz UKZPKBTUFMWUFN-UHFFFAOYSA-N 1 1 218.687 3.787 40 0 BHABMO CCc1cccc(Nc2cc(C)cc[nH+]2)c1 ZINC000196747105 398263819 /nfs/dbraw/zinc/26/38/19/398263819.db2.gz DAMNVIMTLXGMON-UHFFFAOYSA-N 1 1 212.296 3.696 40 0 BHABMO Cc1cc[nH+]c(Nc2ccc(C)c(C)c2)c1 ZINC000199710539 179462083 /nfs/dbraw/zinc/46/20/83/179462083.db2.gz JSFXKSFOETVROB-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO Cc1cc[nH+]c(Nc2cc(C)cc(C)c2)c1 ZINC000199710823 411208115 /nfs/dbraw/zinc/20/81/15/411208115.db2.gz FLOPIWNNTYOJDU-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO COc1ccc(Nc2cc(C)cc[nH+]2)cc1Cl ZINC000199713362 175155963 /nfs/dbraw/zinc/15/59/63/175155963.db2.gz NAMCPKXYSOQYHF-UHFFFAOYSA-N 1 1 248.713 3.796 40 0 BHABMO CCOc1ccc(Nc2cc(C)cc[nH+]2)cc1 ZINC000199716298 170554454 /nfs/dbraw/zinc/55/44/54/170554454.db2.gz UQUMUBMLGNJAKQ-UHFFFAOYSA-N 1 1 228.295 3.532 40 0 BHABMO CCc1ccc(Nc2cc(C)cc[nH+]2)cc1 ZINC000199716338 388654708 /nfs/dbraw/zinc/65/47/08/388654708.db2.gz RKGYVPQBFYVSMO-UHFFFAOYSA-N 1 1 212.296 3.696 40 0 BHABMO Cc1cc[nH+]c(Nc2ccc(F)cc2C)c1 ZINC000199716402 368354340 /nfs/dbraw/zinc/35/43/40/368354340.db2.gz UNUMMKUVWFUCME-UHFFFAOYSA-N 1 1 216.259 3.581 40 0 BHABMO CSc1ccc(Nc2cc(C)cc[nH+]2)cc1 ZINC000199719999 388655043 /nfs/dbraw/zinc/65/50/43/388655043.db2.gz PJCNKXUGOARAOI-UHFFFAOYSA-N 1 1 230.336 3.856 40 0 BHABMO Cc1cc[nH+]c(Nc2cc(C)ccc2C)c1 ZINC000199776741 384547008 /nfs/dbraw/zinc/54/70/08/384547008.db2.gz ZSRIQAUUBNCWHV-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@@H](C)[N@@H+]1CCC ZINC000223712205 386095028 /nfs/dbraw/zinc/09/50/28/386095028.db2.gz FLLFHSFSXJPZPH-BXUZGUMPSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@@H](C)[N@@H+]1CCC ZINC000223712264 386093661 /nfs/dbraw/zinc/09/36/61/386093661.db2.gz FLLFHSFSXJPZPH-RISCZKNCSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@@H](C)[N@@H+]1C(C)C ZINC000223712727 386093550 /nfs/dbraw/zinc/09/35/50/386093550.db2.gz PSNRURLJDSBUGB-BXUZGUMPSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@@H](C)[N@@H+]1C(C)C ZINC000223712782 386093540 /nfs/dbraw/zinc/09/35/40/386093540.db2.gz PSNRURLJDSBUGB-RISCZKNCSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1CC ZINC000223715220 386094875 /nfs/dbraw/zinc/09/48/75/386094875.db2.gz JJVHOYZNKMLKAR-BXUZGUMPSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1CC ZINC000223715278 386093927 /nfs/dbraw/zinc/09/39/27/386093927.db2.gz JJVHOYZNKMLKAR-RISCZKNCSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[N@H+]1[C@@H](CC)Cc2[nH]ccc2[C@@H]1CC ZINC000223715649 169211986 /nfs/dbraw/zinc/21/19/86/169211986.db2.gz BKHAZJVHQBVHGS-FZMZJTMJSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1CCC ZINC000223715742 386094965 /nfs/dbraw/zinc/09/49/65/386094965.db2.gz KQENEWJCRYSICN-IUODEOHRSA-N 1 1 234.387 3.903 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1CCC ZINC000223715800 386093528 /nfs/dbraw/zinc/09/35/28/386093528.db2.gz KQENEWJCRYSICN-DOMZBBRYSA-N 1 1 234.387 3.903 40 0 BHABMO CCC[N@H+]1[C@@H](CC)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000223715879 169211308 /nfs/dbraw/zinc/21/13/08/169211308.db2.gz BVGOCLMCEYMMGJ-WFASDCNBSA-N 1 1 234.387 3.759 40 0 BHABMO CC[C@@H]1Cc2[nH]ccc2[C@@H](CC)[N@H+]1C(C)C ZINC000223716225 171143899 /nfs/dbraw/zinc/14/38/99/171143899.db2.gz KRNRDHGERVKPGQ-BXUZGUMPSA-N 1 1 220.360 3.511 40 0 BHABMO CC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1C(C)C ZINC000223716281 386093262 /nfs/dbraw/zinc/09/32/62/386093262.db2.gz KRNRDHGERVKPGQ-SMDDNHRTSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1C(C)C ZINC000223716359 386094017 /nfs/dbraw/zinc/09/40/17/386094017.db2.gz RPVUOQSHDJUUPO-IUODEOHRSA-N 1 1 234.387 3.901 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@@H](CC)[N@@H+]1C(C)C ZINC000223716428 386094039 /nfs/dbraw/zinc/09/40/39/386094039.db2.gz RPVUOQSHDJUUPO-DOMZBBRYSA-N 1 1 234.387 3.901 40 0 BHABMO CC[C@@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@H+]1C(C)C ZINC000223716514 171143273 /nfs/dbraw/zinc/14/32/73/171143273.db2.gz WYGCFSQGBPJGMU-IUODEOHRSA-N 1 1 234.387 3.757 40 0 BHABMO CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)[N@H+]1C(C)C ZINC000223716568 386094748 /nfs/dbraw/zinc/09/47/48/386094748.db2.gz WYGCFSQGBPJGMU-SWLSCSKDSA-N 1 1 234.387 3.757 40 0 BHABMO Cc1[nH+]c2cc(C)c(N)cc2n1C1CCCCC1 ZINC000223770493 188180553 /nfs/dbraw/zinc/18/05/53/188180553.db2.gz DOWJJEMIAFUILZ-UHFFFAOYSA-N 1 1 243.354 3.741 40 0 BHABMO Cc1cc([NH2+]C2CCCCC2)cc(C)c1N ZINC000223772968 178155351 /nfs/dbraw/zinc/15/53/51/178155351.db2.gz QVKZCTARPLSRMO-UHFFFAOYSA-N 1 1 218.344 3.630 40 0 BHABMO Cc1cc([NH2+]C2CCCCC2)c(C)cc1N ZINC000223779906 178155373 /nfs/dbraw/zinc/15/53/73/178155373.db2.gz DJGMTTHJEQFGCQ-UHFFFAOYSA-N 1 1 218.344 3.630 40 0 BHABMO CCc1cc(N)ccc1[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000226315522 384971348 /nfs/dbraw/zinc/97/13/48/384971348.db2.gz KKKAYWWDUABARJ-RYUDHWBXSA-N 1 1 232.371 3.599 40 0 BHABMO CCc1cc(N)ccc1[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000226315527 384972552 /nfs/dbraw/zinc/97/25/52/384972552.db2.gz KKKAYWWDUABARJ-TXEJJXNPSA-N 1 1 232.371 3.599 40 0 BHABMO CCc1cc(N)ccc1[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000226315527 384972546 /nfs/dbraw/zinc/97/25/46/384972546.db2.gz KKKAYWWDUABARJ-TXEJJXNPSA-N 1 1 232.371 3.599 40 0 BHABMO CCc1cc(N)ccc1[NH+]1[C@H](C)CCC[C@H]1C ZINC000226315534 384972607 /nfs/dbraw/zinc/97/26/07/384972607.db2.gz KKKAYWWDUABARJ-VXGBXAGGSA-N 1 1 232.371 3.599 40 0 BHABMO Cc1cc[nH+]c(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 ZINC000226931719 134371079 /nfs/dbraw/zinc/37/10/79/134371079.db2.gz GPWLGEIJLOOIKO-JHJVBQTASA-N 1 1 218.344 3.627 40 0 BHABMO Cc1cc[nH+]c(N[C@@H]2CCC[C@H](C)[C@H]2C)c1 ZINC000226931725 134371002 /nfs/dbraw/zinc/37/10/02/134371002.db2.gz GPWLGEIJLOOIKO-YNEHKIRRSA-N 1 1 218.344 3.627 40 0 BHABMO Cc1cc[nH+]c(Nc2cccc(C)c2C)c1 ZINC000228952092 525703972 /nfs/dbraw/zinc/70/39/72/525703972.db2.gz VEJGWGDBDNGDDR-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO Cc1cc[nH+]c(Nc2ccc(C)cc2C)c1 ZINC000228952250 525704958 /nfs/dbraw/zinc/70/49/58/525704958.db2.gz DWDQMVKVRFOQJZ-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO Cc1cc[nH+]c(Nc2ccc3c(c2)CCC3)c1 ZINC000228952715 525704095 /nfs/dbraw/zinc/70/40/95/525704095.db2.gz UGDHNVGPQICIFT-UHFFFAOYSA-N 1 1 224.307 3.622 40 0 BHABMO Cc1cc[nH+]c(Nc2c(C)cccc2C)c1 ZINC000228956307 525704653 /nfs/dbraw/zinc/70/46/53/525704653.db2.gz SZGBGAUYHDKBRZ-UHFFFAOYSA-N 1 1 212.296 3.750 40 0 BHABMO CCc1ccccc1Nc1cc(C)cc[nH+]1 ZINC000228967187 521912250 /nfs/dbraw/zinc/91/22/50/521912250.db2.gz IVQFAGZJGTXEKO-UHFFFAOYSA-N 1 1 212.296 3.696 40 0 BHABMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000254762466 349318378 /nfs/dbraw/zinc/31/83/78/349318378.db2.gz ARXOOGOGEGNDSZ-UHFFFAOYSA-N 1 1 245.713 3.571 40 0 BHABMO CCC[N@H+]1[C@H](CC)Cc2[nH]ccc2[C@H]1CC ZINC000260825756 323128460 /nfs/dbraw/zinc/12/84/60/323128460.db2.gz BKHAZJVHQBVHGS-BXUZGUMPSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[N@H+]1[C@H](CC)Cc2[nH]ccc2[C@@H]1CC ZINC000260825759 323128438 /nfs/dbraw/zinc/12/84/38/323128438.db2.gz BKHAZJVHQBVHGS-RISCZKNCSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[N@@H+]1[C@H](CC)c2cc[nH]c2C[C@@H]1CC ZINC000260825764 323128493 /nfs/dbraw/zinc/12/84/93/323128493.db2.gz BKHAZJVHQBVHGS-SMDDNHRTSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[N@H+]1[C@H](CC)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000260825777 323128414 /nfs/dbraw/zinc/12/84/14/323128414.db2.gz BVGOCLMCEYMMGJ-DOMZBBRYSA-N 1 1 234.387 3.759 40 0 BHABMO CCC[N@H+]1[C@H](CC)Cc2[nH]ccc2[C@H]1C(C)C ZINC000260825781 323128449 /nfs/dbraw/zinc/12/84/49/323128449.db2.gz BVGOCLMCEYMMGJ-IUODEOHRSA-N 1 1 234.387 3.759 40 0 BHABMO CCC[N@@H+]1[C@H](C(C)C)c2cc[nH]c2C[C@@H]1CC ZINC000260825784 323128482 /nfs/dbraw/zinc/12/84/82/323128482.db2.gz BVGOCLMCEYMMGJ-SWLSCSKDSA-N 1 1 234.387 3.759 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@H](C)[N@@H+]1CCC ZINC000260825819 323128542 /nfs/dbraw/zinc/12/85/42/323128542.db2.gz FLLFHSFSXJPZPH-FZMZJTMJSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@H](C)[N@@H+]1CCC ZINC000260825821 323128666 /nfs/dbraw/zinc/12/86/66/323128666.db2.gz FLLFHSFSXJPZPH-SMDDNHRTSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1CC ZINC000260825861 323128603 /nfs/dbraw/zinc/12/86/03/323128603.db2.gz JJVHOYZNKMLKAR-FZMZJTMJSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1CC ZINC000260825863 323128638 /nfs/dbraw/zinc/12/86/38/323128638.db2.gz JJVHOYZNKMLKAR-SMDDNHRTSA-N 1 1 220.360 3.513 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1CCC ZINC000260825875 323128660 /nfs/dbraw/zinc/12/86/60/323128660.db2.gz KQENEWJCRYSICN-SWLSCSKDSA-N 1 1 234.387 3.903 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1CCC ZINC000260825877 323128620 /nfs/dbraw/zinc/12/86/20/323128620.db2.gz KQENEWJCRYSICN-WFASDCNBSA-N 1 1 234.387 3.903 40 0 BHABMO CC[C@H]1Cc2[nH]ccc2[C@H](CC)[N@H+]1C(C)C ZINC000260825879 323128539 /nfs/dbraw/zinc/12/85/39/323128539.db2.gz KRNRDHGERVKPGQ-FZMZJTMJSA-N 1 1 220.360 3.511 40 0 BHABMO CC[C@@H]1Cc2[nH]ccc2[C@H](CC)[N@H+]1C(C)C ZINC000260825880 323128686 /nfs/dbraw/zinc/12/86/86/323128686.db2.gz KRNRDHGERVKPGQ-RISCZKNCSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@H](C)[N@@H+]1C(C)C ZINC000260825900 323128680 /nfs/dbraw/zinc/12/86/80/323128680.db2.gz PSNRURLJDSBUGB-FZMZJTMJSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@H](C)[N@@H+]1C(C)C ZINC000260825902 323128575 /nfs/dbraw/zinc/12/85/75/323128575.db2.gz PSNRURLJDSBUGB-SMDDNHRTSA-N 1 1 220.360 3.511 40 0 BHABMO CCC[C@@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1C(C)C ZINC000260825914 323128669 /nfs/dbraw/zinc/12/86/69/323128669.db2.gz RPVUOQSHDJUUPO-SWLSCSKDSA-N 1 1 234.387 3.901 40 0 BHABMO CCC[C@H]1c2cc[nH]c2C[C@H](CC)[N@@H+]1C(C)C ZINC000260825917 323128617 /nfs/dbraw/zinc/12/86/17/323128617.db2.gz RPVUOQSHDJUUPO-WFASDCNBSA-N 1 1 234.387 3.901 40 0 BHABMO CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@H+]1C(C)C ZINC000260825959 323128599 /nfs/dbraw/zinc/12/85/99/323128599.db2.gz WYGCFSQGBPJGMU-DOMZBBRYSA-N 1 1 234.387 3.757 40 0 BHABMO CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)[N@H+]1C(C)C ZINC000260825962 323128610 /nfs/dbraw/zinc/12/86/10/323128610.db2.gz WYGCFSQGBPJGMU-WFASDCNBSA-N 1 1 234.387 3.757 40 0 BHABMO