smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC2(CC1)[NH2+]CCc1c3ccccc3[nH]c12 ZINC000072397401 374248916 /nfs/dbraw/zinc/24/89/16/374248916.db2.gz BVHRJNISQQEUBL-UHFFFAOYSA-N 2 2 269.392 2.625 40 0 CFABLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257269124 190024271 /nfs/dbraw/zinc/02/42/71/190024271.db2.gz MORBFJPBLUNIBE-MRXNPFEDSA-N 2 2 273.424 2.573 40 0 CFABLP C[NH+]1CCC([N@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257269124 190024272 /nfs/dbraw/zinc/02/42/72/190024272.db2.gz MORBFJPBLUNIBE-MRXNPFEDSA-N 2 2 273.424 2.573 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257309649 190031369 /nfs/dbraw/zinc/03/13/69/190031369.db2.gz UBUSZNLIZONGIQ-CQSZACIVSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257309649 190031370 /nfs/dbraw/zinc/03/13/70/190031370.db2.gz UBUSZNLIZONGIQ-CQSZACIVSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccn2C)cc[nH+]1 ZINC000257336457 190036524 /nfs/dbraw/zinc/03/65/24/190036524.db2.gz YOMWYRDZJXDCDO-MRXNPFEDSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2nccn2C)cc[nH+]1 ZINC000257336457 190036525 /nfs/dbraw/zinc/03/65/25/190036525.db2.gz YOMWYRDZJXDCDO-MRXNPFEDSA-N 2 2 284.407 2.721 40 0 CFABLP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000022211911 171373846 /nfs/dbraw/zinc/37/38/46/171373846.db2.gz BIRDXGURJZQORM-UKRRQHHQSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000022211911 171373847 /nfs/dbraw/zinc/37/38/47/171373847.db2.gz BIRDXGURJZQORM-UKRRQHHQSA-N 2 2 262.397 2.817 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccsc3)C2)[nH+]1 ZINC000205706997 539931543 /nfs/dbraw/zinc/93/15/43/539931543.db2.gz ZZGRZONQNWBIQH-CYBMUJFWSA-N 2 2 261.394 2.780 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccsc3)C2)[nH+]1 ZINC000205706997 539931547 /nfs/dbraw/zinc/93/15/47/539931547.db2.gz ZZGRZONQNWBIQH-CYBMUJFWSA-N 2 2 261.394 2.780 40 0 CFABLP C[C@](C[NH3+])(c1ccccc1Cl)[NH+]1CCCCC1 ZINC000070453421 374179869 /nfs/dbraw/zinc/17/98/69/374179869.db2.gz JZMLCYJOSGXWFI-AWEZNQCLSA-N 2 2 252.789 3.000 40 0 CFABLP Cc1nc(N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)cc[nH+]1 ZINC000072366699 374246694 /nfs/dbraw/zinc/24/66/94/374246694.db2.gz IDIDNBIEEAOJAU-HNNXBMFYSA-N 2 2 297.406 2.630 40 0 CFABLP c1cncc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC000096227890 375480218 /nfs/dbraw/zinc/48/02/18/375480218.db2.gz OWOUGYQKWYNKED-UHFFFAOYSA-N 2 2 285.435 2.922 40 0 CFABLP c1cncc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC000096227890 375480224 /nfs/dbraw/zinc/48/02/24/375480224.db2.gz OWOUGYQKWYNKED-UHFFFAOYSA-N 2 2 285.435 2.922 40 0 CFABLP COc1cc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257240769 190018265 /nfs/dbraw/zinc/01/82/65/190018265.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257240769 190018266 /nfs/dbraw/zinc/01/82/66/190018266.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@@H+]2CC[C@H](c3[nH]c(C)c[nH+]3)C2)ccc1F ZINC000257240769 190018267 /nfs/dbraw/zinc/01/82/67/190018267.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@H+]2CC[C@H](c3[nH]c(C)c[nH+]3)C2)ccc1F ZINC000257240769 190018268 /nfs/dbraw/zinc/01/82/68/190018268.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccn2C)cc[nH+]1 ZINC000257336456 190036056 /nfs/dbraw/zinc/03/60/56/190036056.db2.gz YOMWYRDZJXDCDO-INIZCTEOSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2nccn2C)cc[nH+]1 ZINC000257336456 190036057 /nfs/dbraw/zinc/03/60/57/190036057.db2.gz YOMWYRDZJXDCDO-INIZCTEOSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257340328 190037112 /nfs/dbraw/zinc/03/71/12/190037112.db2.gz ZFNQVHQTFVJOQD-CYBMUJFWSA-N 2 2 290.436 2.873 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257340328 190037113 /nfs/dbraw/zinc/03/71/13/190037113.db2.gz ZFNQVHQTFVJOQD-CYBMUJFWSA-N 2 2 290.436 2.873 40 0 CFABLP Cc1cccc(N2CCC[C@H]([N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257201347 383493703 /nfs/dbraw/zinc/49/37/03/383493703.db2.gz AHHMZDNISJAZDW-KRWDZBQOSA-N 2 2 296.418 2.886 40 0 CFABLP Cc1cccc(N2CCC[C@H]([N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257201347 383493705 /nfs/dbraw/zinc/49/37/05/383493705.db2.gz AHHMZDNISJAZDW-KRWDZBQOSA-N 2 2 296.418 2.886 40 0 CFABLP COCC[NH+]1CCC(c2[nH]c3ccc(C)cc3[nH+]2)CC1 ZINC000072367888 393650375 /nfs/dbraw/zinc/65/03/75/393650375.db2.gz OMICOPNEAIWZQB-UHFFFAOYSA-N 2 2 273.380 2.697 40 0 CFABLP Clc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000072203569 176341461 /nfs/dbraw/zinc/34/14/61/176341461.db2.gz QUPHXMYPFMPSQU-SNVBAGLBSA-N 2 2 259.180 2.835 40 0 CFABLP c1cn(-c2cncc(C3CC[NH+](C4CCCC4)CC3)n2)c[nH+]1 ZINC000072355516 176374658 /nfs/dbraw/zinc/37/46/58/176374658.db2.gz AYAVWLHKHUMLCI-UHFFFAOYSA-N 2 2 297.406 2.784 40 0 CFABLP Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000072354273 176374916 /nfs/dbraw/zinc/37/49/16/176374916.db2.gz BICBSWDWRZJBIN-ZDUSSCGKSA-N 2 2 283.379 2.733 40 0 CFABLP Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000072354273 176374918 /nfs/dbraw/zinc/37/49/18/176374918.db2.gz BICBSWDWRZJBIN-ZDUSSCGKSA-N 2 2 283.379 2.733 40 0 CFABLP c1ccc(CNc2cc([C@H]3CCC[NH2+]C3)cc[nH+]2)nc1 ZINC000072386482 176391880 /nfs/dbraw/zinc/39/18/80/176391880.db2.gz UTCOZCRXDLUPES-AWEZNQCLSA-N 2 2 268.364 2.556 40 0 CFABLP CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C)o1)C2 ZINC000096071602 185087306 /nfs/dbraw/zinc/08/73/06/185087306.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 2 2 262.397 2.896 40 0 CFABLP CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C)o1)C2 ZINC000096071602 185087308 /nfs/dbraw/zinc/08/73/08/185087308.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 2 2 262.397 2.896 40 0 CFABLP CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096071602 185087310 /nfs/dbraw/zinc/08/73/10/185087310.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 2 2 262.397 2.896 40 0 CFABLP CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096071602 185087311 /nfs/dbraw/zinc/08/73/11/185087311.db2.gz BDKZFRWVFFNODQ-MRXNPFEDSA-N 2 2 262.397 2.896 40 0 CFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccco3)CC2)[N@@H+]1C ZINC000096209497 375477389 /nfs/dbraw/zinc/47/73/89/375477389.db2.gz KHWUZVCPBWUCPN-HNNXBMFYSA-N 2 2 292.423 2.745 40 0 CFABLP CCOC[C@@H]1CCC2(CC[NH+](Cc3ccco3)CC2)[N@H+]1C ZINC000096209497 375477395 /nfs/dbraw/zinc/47/73/95/375477395.db2.gz KHWUZVCPBWUCPN-HNNXBMFYSA-N 2 2 292.423 2.745 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@@H+]2C2CCOCC2)cc[nH+]1 ZINC000257251277 190020369 /nfs/dbraw/zinc/02/03/69/190020369.db2.gz JQBYDFMKDVHZIJ-INIZCTEOSA-N 2 2 274.408 2.966 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@H+]2C2CCOCC2)cc[nH+]1 ZINC000257251277 190020370 /nfs/dbraw/zinc/02/03/70/190020370.db2.gz JQBYDFMKDVHZIJ-INIZCTEOSA-N 2 2 274.408 2.966 40 0 CFABLP c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355623 176375106 /nfs/dbraw/zinc/37/51/06/176375106.db2.gz LCQSYFDOJUZUNW-MRXNPFEDSA-N 2 2 298.390 2.583 40 0 CFABLP c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355623 176375108 /nfs/dbraw/zinc/37/51/08/176375108.db2.gz LCQSYFDOJUZUNW-MRXNPFEDSA-N 2 2 298.390 2.583 40 0 CFABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+]2C2CCCC2)c[nH+]1 ZINC000072359231 176376995 /nfs/dbraw/zinc/37/69/95/176376995.db2.gz BMFBPSFUFNLRNI-AWEZNQCLSA-N 2 2 283.379 2.742 40 0 CFABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000072359231 176376996 /nfs/dbraw/zinc/37/69/96/176376996.db2.gz BMFBPSFUFNLRNI-AWEZNQCLSA-N 2 2 283.379 2.742 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C)n1 ZINC000072379096 176386143 /nfs/dbraw/zinc/38/61/43/176386143.db2.gz JEPHHNIZGYLMIY-CYBMUJFWSA-N 2 2 256.353 2.596 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072379096 176386145 /nfs/dbraw/zinc/38/61/45/176386145.db2.gz JEPHHNIZGYLMIY-CYBMUJFWSA-N 2 2 256.353 2.596 40 0 CFABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073936 /nfs/dbraw/zinc/07/39/36/185073936.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073939 /nfs/dbraw/zinc/07/39/39/185073939.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073940 /nfs/dbraw/zinc/07/39/40/185073940.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073942 /nfs/dbraw/zinc/07/39/42/185073942.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 2 2 297.402 2.547 40 0 CFABLP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096058310 185079600 /nfs/dbraw/zinc/07/96/00/185079600.db2.gz GTLSUOHWKWMQEC-ZOBUZTSGSA-N 2 2 299.443 2.975 40 0 CFABLP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21 ZINC000096058310 185079602 /nfs/dbraw/zinc/07/96/02/185079602.db2.gz GTLSUOHWKWMQEC-ZOBUZTSGSA-N 2 2 299.443 2.975 40 0 CFABLP [NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000095098742 375416078 /nfs/dbraw/zinc/41/60/78/375416078.db2.gz JTYBDNYRPPLXEW-GFCCVEGCSA-N 2 2 274.286 2.681 40 0 CFABLP CCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000096215224 375476664 /nfs/dbraw/zinc/47/66/64/375476664.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)o1 ZINC000096215224 375476667 /nfs/dbraw/zinc/47/66/67/375476667.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000096215224 375476669 /nfs/dbraw/zinc/47/66/69/375476669.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000096215224 375476671 /nfs/dbraw/zinc/47/66/71/375476671.db2.gz ZSIMGBPZTZLYCN-MRXNPFEDSA-N 2 2 262.397 2.760 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000257233692 190016869 /nfs/dbraw/zinc/01/68/69/190016869.db2.gz GQGHAQXDHAWGTR-GFCCVEGCSA-N 2 2 261.394 2.780 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000257233692 190016870 /nfs/dbraw/zinc/01/68/70/190016870.db2.gz GQGHAQXDHAWGTR-GFCCVEGCSA-N 2 2 261.394 2.780 40 0 CFABLP CC(C)c1[nH+]ccn1-c1ccnc([C@H]2CCC[NH2+]C2)c1 ZINC000257236426 190017425 /nfs/dbraw/zinc/01/74/25/190017425.db2.gz HCDDEJNDSYZAKL-ZDUSSCGKSA-N 2 2 270.380 2.858 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257295959 190028466 /nfs/dbraw/zinc/02/84/66/190028466.db2.gz RAPQSHROPBAMHV-MRXNPFEDSA-N 2 2 289.423 2.729 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257295959 190028467 /nfs/dbraw/zinc/02/84/67/190028467.db2.gz RAPQSHROPBAMHV-MRXNPFEDSA-N 2 2 289.423 2.729 40 0 CFABLP CC(C)c1[nH+]ccn1-c1cccc(C2CC[NH2+]CC2)n1 ZINC000257318549 190033267 /nfs/dbraw/zinc/03/32/67/190033267.db2.gz VOJPSCSKDMGFHN-UHFFFAOYSA-N 2 2 270.380 2.858 40 0 CFABLP CCN(Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000257223939 285129600 /nfs/dbraw/zinc/12/96/00/285129600.db2.gz DZPHXRNKMAUJNP-CQSZACIVSA-N 2 2 276.428 2.639 40 0 CFABLP CCN(Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)C2(C1)CCCCC2 ZINC000257223939 285129610 /nfs/dbraw/zinc/12/96/10/285129610.db2.gz DZPHXRNKMAUJNP-CQSZACIVSA-N 2 2 276.428 2.639 40 0 CFABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@H+](C)C1 ZINC000072350498 176373516 /nfs/dbraw/zinc/37/35/16/176373516.db2.gz UYSBSZOTKPWHKY-ZDUSSCGKSA-N 2 2 285.395 2.595 40 0 CFABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072350498 176373518 /nfs/dbraw/zinc/37/35/18/176373518.db2.gz UYSBSZOTKPWHKY-ZDUSSCGKSA-N 2 2 285.395 2.595 40 0 CFABLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053724 185073737 /nfs/dbraw/zinc/07/37/37/185073737.db2.gz ACJOLGHVDXJSNP-HOTGVXAUSA-N 2 2 299.443 2.707 40 0 CFABLP Cc1cc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000019659168 539380706 /nfs/dbraw/zinc/38/07/06/539380706.db2.gz QTSCISXKSAXFLT-UHFFFAOYSA-N 2 2 295.390 2.844 40 0 CFABLP Cc1cc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3C)cc2)[nH]n1 ZINC000019659168 539380709 /nfs/dbraw/zinc/38/07/09/539380709.db2.gz QTSCISXKSAXFLT-UHFFFAOYSA-N 2 2 295.390 2.844 40 0 CFABLP CCOc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092744 372555688 /nfs/dbraw/zinc/55/56/88/372555688.db2.gz YLHITQLEVOFUJB-BBRMVZONSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092744 372555695 /nfs/dbraw/zinc/55/56/95/372555695.db2.gz YLHITQLEVOFUJB-BBRMVZONSA-N 2 2 262.397 2.817 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000257215940 190013420 /nfs/dbraw/zinc/01/34/20/190013420.db2.gz CSJIHWKMORKDLX-ZDUSSCGKSA-N 2 2 291.345 2.996 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000257215940 190013421 /nfs/dbraw/zinc/01/34/21/190013421.db2.gz CSJIHWKMORKDLX-ZDUSSCGKSA-N 2 2 291.345 2.996 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000257231015 190016511 /nfs/dbraw/zinc/01/65/11/190016511.db2.gz GEVARSUDPCKPCU-QGZVFWFLSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000257231015 190016512 /nfs/dbraw/zinc/01/65/12/190016512.db2.gz GEVARSUDPCKPCU-QGZVFWFLSA-N 2 2 284.407 2.721 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257232796 190016910 /nfs/dbraw/zinc/01/69/10/190016910.db2.gz GMLOJCLCXRNPIP-CQSZACIVSA-N 2 2 285.395 2.770 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000257232796 190016911 /nfs/dbraw/zinc/01/69/11/190016911.db2.gz GMLOJCLCXRNPIP-CQSZACIVSA-N 2 2 285.395 2.770 40 0 CFABLP CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257269242 190024106 /nfs/dbraw/zinc/02/41/06/190024106.db2.gz MPEJTEHDYTZTTI-HNNXBMFYSA-N 2 2 287.411 2.704 40 0 CFABLP CCCn1cc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257269242 190024107 /nfs/dbraw/zinc/02/41/07/190024107.db2.gz MPEJTEHDYTZTTI-HNNXBMFYSA-N 2 2 287.411 2.704 40 0 CFABLP Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnccn3)C2)c[nH+]1 ZINC000257273894 190024548 /nfs/dbraw/zinc/02/45/48/190024548.db2.gz NIQMGHBSFNOQFT-INIZCTEOSA-N 2 2 282.391 2.635 40 0 CFABLP Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cnccn3)C2)c[nH+]1 ZINC000257273894 190024549 /nfs/dbraw/zinc/02/45/49/190024549.db2.gz NIQMGHBSFNOQFT-INIZCTEOSA-N 2 2 282.391 2.635 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257324192 190034296 /nfs/dbraw/zinc/03/42/96/190034296.db2.gz WNQAADRPBBINQJ-LBPRGKRZSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257324192 190034297 /nfs/dbraw/zinc/03/42/97/190034297.db2.gz WNQAADRPBBINQJ-LBPRGKRZSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257331596 190035468 /nfs/dbraw/zinc/03/54/68/190035468.db2.gz XTNQDOYKNBABIS-HNNXBMFYSA-N 2 2 299.422 2.559 40 0 CFABLP Cc1nc[nH]c1C[N@@H+]1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257331596 190035469 /nfs/dbraw/zinc/03/54/69/190035469.db2.gz XTNQDOYKNBABIS-HNNXBMFYSA-N 2 2 299.422 2.559 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3cccn3C)C2)cc[nH+]1 ZINC000257334330 190036108 /nfs/dbraw/zinc/03/61/08/190036108.db2.gz YFLHQZYNWZQHKI-HNNXBMFYSA-N 2 2 284.407 2.841 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cccn3C)C2)cc[nH+]1 ZINC000257334330 190036109 /nfs/dbraw/zinc/03/61/09/190036109.db2.gz YFLHQZYNWZQHKI-HNNXBMFYSA-N 2 2 284.407 2.841 40 0 CFABLP CNc1cc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc[nH+]1 ZINC000257301148 383494788 /nfs/dbraw/zinc/49/47/88/383494788.db2.gz RXEAHJQKDKTBNT-CQSZACIVSA-N 2 2 283.379 2.606 40 0 CFABLP c1[nH+]c2n(c1-c1ccccc1)CCC21CC[NH2+]CC1 ZINC000306127396 285582490 /nfs/dbraw/zinc/58/24/90/285582490.db2.gz FXRCDPYWYCYRAB-UHFFFAOYSA-N 2 2 253.349 2.575 40 0 CFABLP c1cc(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053785 185074263 /nfs/dbraw/zinc/07/42/63/185074263.db2.gz LQLMHLPVDPXAMO-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053785 185074264 /nfs/dbraw/zinc/07/42/64/185074264.db2.gz LQLMHLPVDPXAMO-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053785 185074265 /nfs/dbraw/zinc/07/42/65/185074265.db2.gz LQLMHLPVDPXAMO-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053785 185074266 /nfs/dbraw/zinc/07/42/66/185074266.db2.gz LQLMHLPVDPXAMO-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP COc1ccc2ccccc2c1[C@H](C[NH3+])[NH+]1CCCC1 ZINC000032048751 372425730 /nfs/dbraw/zinc/42/57/30/372425730.db2.gz WLRYWRAJTKGBBT-HNNXBMFYSA-N 2 2 270.376 2.944 40 0 CFABLP c1cc2c(s1)CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC000043498775 372991749 /nfs/dbraw/zinc/99/17/49/372991749.db2.gz RCBFCAMDOCJTBL-CYBMUJFWSA-N 2 2 250.411 2.638 40 0 CFABLP c1cc2c(s1)CC[N@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC000043498775 372991753 /nfs/dbraw/zinc/99/17/53/372991753.db2.gz RCBFCAMDOCJTBL-CYBMUJFWSA-N 2 2 250.411 2.638 40 0 CFABLP Cc1nc(N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)cc[nH+]1 ZINC000072366700 374246218 /nfs/dbraw/zinc/24/62/18/374246218.db2.gz IDIDNBIEEAOJAU-OAHLLOKOSA-N 2 2 297.406 2.630 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257208193 190012040 /nfs/dbraw/zinc/01/20/40/190012040.db2.gz BLCKCAAWBRCNKA-HNNXBMFYSA-N 2 2 270.380 2.503 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257208193 190012041 /nfs/dbraw/zinc/01/20/41/190012041.db2.gz BLCKCAAWBRCNKA-HNNXBMFYSA-N 2 2 270.380 2.503 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257230712 190016213 /nfs/dbraw/zinc/01/62/13/190016213.db2.gz GDOZEXPYSROIGN-GFCCVEGCSA-N 2 2 276.409 2.863 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257230712 190016214 /nfs/dbraw/zinc/01/62/14/190016214.db2.gz GDOZEXPYSROIGN-GFCCVEGCSA-N 2 2 276.409 2.863 40 0 CFABLP Cc1[nH+]cc(-c2cncc(C3CC[NH+](C(C)C)CC3)n2)n1C ZINC000257233886 190017142 /nfs/dbraw/zinc/01/71/42/190017142.db2.gz GREPJVCKZWNOTF-UHFFFAOYSA-N 2 2 299.422 2.773 40 0 CFABLP Cc1c(C[N@@H+]2CCC[C@@H](Cc3ccc(C)[nH+]c3)C2)cnn1C ZINC000257218258 190014116 /nfs/dbraw/zinc/01/41/16/190014116.db2.gz DCKSYAKJDOGYLH-KRWDZBQOSA-N 2 2 298.434 2.887 40 0 CFABLP Cc1c(C[N@H+]2CCC[C@@H](Cc3ccc(C)[nH+]c3)C2)cnn1C ZINC000257218258 190014117 /nfs/dbraw/zinc/01/41/17/190014117.db2.gz DCKSYAKJDOGYLH-KRWDZBQOSA-N 2 2 298.434 2.887 40 0 CFABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]C2)n1 ZINC000257216430 190014236 /nfs/dbraw/zinc/01/42/36/190014236.db2.gz CUNABLFGKVRYOI-CYBMUJFWSA-N 2 2 270.380 2.858 40 0 CFABLP COc1ccccc1C[N@@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257232414 190017297 /nfs/dbraw/zinc/01/72/97/190017297.db2.gz GKTRQMKACMVLAW-AWEZNQCLSA-N 2 2 271.364 2.716 40 0 CFABLP COc1ccccc1C[N@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257232414 190017298 /nfs/dbraw/zinc/01/72/98/190017298.db2.gz GKTRQMKACMVLAW-AWEZNQCLSA-N 2 2 271.364 2.716 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257265854 190023317 /nfs/dbraw/zinc/02/33/17/190023317.db2.gz MAQDPMGVPYKOSQ-OAHLLOKOSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257265854 190023318 /nfs/dbraw/zinc/02/33/18/190023318.db2.gz MAQDPMGVPYKOSQ-OAHLLOKOSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257265853 190023522 /nfs/dbraw/zinc/02/35/22/190023522.db2.gz MAQDPMGVPYKOSQ-HNNXBMFYSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C)nc3)C2)[nH+]1 ZINC000257265853 190023523 /nfs/dbraw/zinc/02/35/23/190023523.db2.gz MAQDPMGVPYKOSQ-HNNXBMFYSA-N 2 2 270.380 2.801 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)cc[nH+]1 ZINC000257320760 190033151 /nfs/dbraw/zinc/03/31/51/190033151.db2.gz VYMFUCFZRJIUFB-CQSZACIVSA-N 2 2 285.395 2.534 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)cc[nH+]1 ZINC000257320760 190033152 /nfs/dbraw/zinc/03/31/52/190033152.db2.gz VYMFUCFZRJIUFB-CQSZACIVSA-N 2 2 285.395 2.534 40 0 CFABLP [NH3+]CCNc1cc[nH+]c2c(Cl)c(Cl)ccc12 ZINC000222680265 382803211 /nfs/dbraw/zinc/80/32/11/382803211.db2.gz SLNHGQQIHSSHAE-UHFFFAOYSA-N 2 2 256.136 2.912 40 0 CFABLP Cc1cccc(N2CCC[C@@H]([N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257201348 383493122 /nfs/dbraw/zinc/49/31/22/383493122.db2.gz AHHMZDNISJAZDW-QGZVFWFLSA-N 2 2 296.418 2.886 40 0 CFABLP Cc1cccc(N2CCC[C@@H]([N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000257201348 383493128 /nfs/dbraw/zinc/49/31/28/383493128.db2.gz AHHMZDNISJAZDW-QGZVFWFLSA-N 2 2 296.418 2.886 40 0 CFABLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073879 /nfs/dbraw/zinc/07/38/79/185073879.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073881 /nfs/dbraw/zinc/07/38/81/185073881.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073882 /nfs/dbraw/zinc/07/38/82/185073882.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053779 185073885 /nfs/dbraw/zinc/07/38/85/185073885.db2.gz QAGHXNLTGUOAEA-GASCZTMLSA-N 2 2 299.443 2.707 40 0 CFABLP Cc1cc(NCCCCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000015418412 372083517 /nfs/dbraw/zinc/08/35/17/372083517.db2.gz NZHQAAMRTPCTEU-UHFFFAOYSA-N 2 2 250.390 2.839 40 0 CFABLP Cc1cccc(N2CCN(C)c3[nH+]c(C)ccc3C2)[nH+]1 ZINC000096198999 375477598 /nfs/dbraw/zinc/47/75/98/375477598.db2.gz RIESONQGBYYHEO-UHFFFAOYSA-N 2 2 268.364 2.550 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257208194 190012083 /nfs/dbraw/zinc/01/20/83/190012083.db2.gz BLCKCAAWBRCNKA-OAHLLOKOSA-N 2 2 270.380 2.503 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)[nH+]1 ZINC000257208194 190012084 /nfs/dbraw/zinc/01/20/84/190012084.db2.gz BLCKCAAWBRCNKA-OAHLLOKOSA-N 2 2 270.380 2.503 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000257232795 190016642 /nfs/dbraw/zinc/01/66/42/190016642.db2.gz GMLOJCLCXRNPIP-AWEZNQCLSA-N 2 2 285.395 2.770 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000257232795 190016643 /nfs/dbraw/zinc/01/66/43/190016643.db2.gz GMLOJCLCXRNPIP-AWEZNQCLSA-N 2 2 285.395 2.770 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000257237223 190017477 /nfs/dbraw/zinc/01/74/77/190017477.db2.gz HFPYISRRAZKQMA-GFCCVEGCSA-N 2 2 277.318 2.986 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000257237223 190017478 /nfs/dbraw/zinc/01/74/78/190017478.db2.gz HFPYISRRAZKQMA-GFCCVEGCSA-N 2 2 277.318 2.986 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257265685 190023151 /nfs/dbraw/zinc/02/31/51/190023151.db2.gz LZWBXKOHMCPWRU-INIZCTEOSA-N 2 2 295.386 2.983 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257265685 190023152 /nfs/dbraw/zinc/02/31/52/190023152.db2.gz LZWBXKOHMCPWRU-INIZCTEOSA-N 2 2 295.386 2.983 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000257272185 190023715 /nfs/dbraw/zinc/02/37/15/190023715.db2.gz NBIVUYDFPQCYJW-MRXNPFEDSA-N 2 2 282.391 2.898 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000257272185 190023716 /nfs/dbraw/zinc/02/37/16/190023716.db2.gz NBIVUYDFPQCYJW-MRXNPFEDSA-N 2 2 282.391 2.898 40 0 CFABLP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccn1 ZINC000004904191 170039186 /nfs/dbraw/zinc/03/91/86/170039186.db2.gz BWGLKGSUUIUCGL-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@H+](C)C1 ZINC000072350497 176373725 /nfs/dbraw/zinc/37/37/25/176373725.db2.gz UYSBSZOTKPWHKY-CYBMUJFWSA-N 2 2 285.395 2.595 40 0 CFABLP CC(C)c1[nH+]ccn1-c1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072350497 176373727 /nfs/dbraw/zinc/37/37/27/176373727.db2.gz UYSBSZOTKPWHKY-CYBMUJFWSA-N 2 2 285.395 2.595 40 0 CFABLP c1ccc2[nH+]c(CCC[NH2+]Cc3ccncc3)[nH]c2c1 ZINC000062718637 346691104 /nfs/dbraw/zinc/69/11/04/346691104.db2.gz RIWFUSDFDPEQFV-UHFFFAOYSA-N 2 2 266.348 2.680 40 0 CFABLP C=Cn1ncc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000019554296 372173214 /nfs/dbraw/zinc/17/32/14/372173214.db2.gz BYMLSVVKTFCBMC-UHFFFAOYSA-N 2 2 276.428 2.597 40 0 CFABLP C=Cn1ncc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1C ZINC000019554296 372173219 /nfs/dbraw/zinc/17/32/19/372173219.db2.gz BYMLSVVKTFCBMC-UHFFFAOYSA-N 2 2 276.428 2.597 40 0 CFABLP Cn1c2cc(Cl)ccc2[nH+]c1CCCCC[NH3+] ZINC000053944098 373490722 /nfs/dbraw/zinc/49/07/22/373490722.db2.gz HAEITMGKTPPTMJ-UHFFFAOYSA-N 2 2 251.761 2.898 40 0 CFABLP CC[C@@H](C)n1nccc1C[NH2+]CCC[NH+](CC)CC ZINC000256052380 190004190 /nfs/dbraw/zinc/00/41/90/190004190.db2.gz NCFBQORRRQRYSM-CQSZACIVSA-N 2 2 266.433 2.676 40 0 CFABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]C2)n1 ZINC000257216431 190013841 /nfs/dbraw/zinc/01/38/41/190013841.db2.gz CUNABLFGKVRYOI-ZDUSSCGKSA-N 2 2 270.380 2.858 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257267898 190023386 /nfs/dbraw/zinc/02/33/86/190023386.db2.gz MJICTHDBAWBGCP-OAHLLOKOSA-N 2 2 299.422 2.545 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257267898 190023387 /nfs/dbraw/zinc/02/33/87/190023387.db2.gz MJICTHDBAWBGCP-OAHLLOKOSA-N 2 2 299.422 2.545 40 0 CFABLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257307623 190031350 /nfs/dbraw/zinc/03/13/50/190031350.db2.gz SZNJFYILPFGHHE-CQSZACIVSA-N 2 2 271.364 2.716 40 0 CFABLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257307623 190031351 /nfs/dbraw/zinc/03/13/51/190031351.db2.gz SZNJFYILPFGHHE-CQSZACIVSA-N 2 2 271.364 2.716 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000257341940 190037277 /nfs/dbraw/zinc/03/72/77/190037277.db2.gz ZMMUWYXZQIIBEV-HNNXBMFYSA-N 2 2 285.391 2.977 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000257341940 190037278 /nfs/dbraw/zinc/03/72/78/190037278.db2.gz ZMMUWYXZQIIBEV-HNNXBMFYSA-N 2 2 285.391 2.977 40 0 CFABLP Cc1c[nH]c([C@@H]2CCCN(c3cccc(C)[nH+]3)C2)[nH+]1 ZINC000257332916 383495374 /nfs/dbraw/zinc/49/53/74/383495374.db2.gz XZIGDLBUPFEJEC-CYBMUJFWSA-N 2 2 256.353 2.806 40 0 CFABLP Clc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000072203617 176341538 /nfs/dbraw/zinc/34/15/38/176341538.db2.gz AXETWNRBRJMSOP-JTQLQIEISA-N 2 2 259.180 2.835 40 0 CFABLP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)c(Cl)c1 ZINC000072203585 176341595 /nfs/dbraw/zinc/34/15/95/176341595.db2.gz BLPFNVYGIFQDRV-UHFFFAOYSA-N 2 2 259.180 2.835 40 0 CFABLP c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053727 185074682 /nfs/dbraw/zinc/07/46/82/185074682.db2.gz ZKJRVYIHLDIHNC-IRXDYDNUSA-N 2 2 299.443 2.707 40 0 CFABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2ccc(Cl)cc2)[nH+]1 ZINC000058047092 373624974 /nfs/dbraw/zinc/62/49/74/373624974.db2.gz GNWMNECXJWBYKV-UHFFFAOYSA-N 2 2 288.782 2.515 40 0 CFABLP c1cncc(C[NH+]2C[C@H]3C[N@H+](CC4CCCC4)C[C@H]3C2)c1 ZINC000096161507 375472203 /nfs/dbraw/zinc/47/22/03/375472203.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 2 2 285.435 2.635 40 0 CFABLP c1cncc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3C2)c1 ZINC000096161507 375472206 /nfs/dbraw/zinc/47/22/06/375472206.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 2 2 285.435 2.635 40 0 CFABLP c1cncc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)c1 ZINC000096161507 375472209 /nfs/dbraw/zinc/47/22/09/375472209.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 2 2 285.435 2.635 40 0 CFABLP c1cncc(C[N@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)c1 ZINC000096161507 375472213 /nfs/dbraw/zinc/47/22/13/375472213.db2.gz LKNXQVYVQFAHNL-HDICACEKSA-N 2 2 285.435 2.635 40 0 CFABLP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)[nH+]1 ZINC000096184719 375475346 /nfs/dbraw/zinc/47/53/46/375475346.db2.gz VGMMNRHFPGMNPO-SJORKVTESA-N 2 2 294.402 2.638 40 0 CFABLP Cc1cccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)[nH+]1 ZINC000096184719 375475348 /nfs/dbraw/zinc/47/53/48/375475348.db2.gz VGMMNRHFPGMNPO-SJORKVTESA-N 2 2 294.402 2.638 40 0 CFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@@H+]1C ZINC000096207876 375476825 /nfs/dbraw/zinc/47/68/25/375476825.db2.gz VLXQNCBPJRWXHV-OAHLLOKOSA-N 2 2 294.464 2.823 40 0 CFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@H+]1C ZINC000096207876 375476826 /nfs/dbraw/zinc/47/68/26/375476826.db2.gz VLXQNCBPJRWXHV-OAHLLOKOSA-N 2 2 294.464 2.823 40 0 CFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccco3)CC2)[N@@H+]1C ZINC000096209498 375477953 /nfs/dbraw/zinc/47/79/53/375477953.db2.gz KHWUZVCPBWUCPN-OAHLLOKOSA-N 2 2 292.423 2.745 40 0 CFABLP CCOC[C@H]1CCC2(CC[NH+](Cc3ccco3)CC2)[N@H+]1C ZINC000096209498 375477955 /nfs/dbraw/zinc/47/79/55/375477955.db2.gz KHWUZVCPBWUCPN-OAHLLOKOSA-N 2 2 292.423 2.745 40 0 CFABLP CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257269243 190023960 /nfs/dbraw/zinc/02/39/60/190023960.db2.gz MPEJTEHDYTZTTI-OAHLLOKOSA-N 2 2 287.411 2.704 40 0 CFABLP CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cn1 ZINC000257269243 190023961 /nfs/dbraw/zinc/02/39/61/190023961.db2.gz MPEJTEHDYTZTTI-OAHLLOKOSA-N 2 2 287.411 2.704 40 0 CFABLP Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCCC[N@@H+]3C)n2)n1C ZINC000257261469 190022477 /nfs/dbraw/zinc/02/24/77/190022477.db2.gz LHLIWNXFNZJXGR-AWEZNQCLSA-N 2 2 285.395 2.651 40 0 CFABLP Cc1[nH+]cc(-c2cc(C)nc([C@@H]3CCCC[N@H+]3C)n2)n1C ZINC000257261469 190022478 /nfs/dbraw/zinc/02/24/78/190022478.db2.gz LHLIWNXFNZJXGR-AWEZNQCLSA-N 2 2 285.395 2.651 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)cc[nH+]1 ZINC000257303152 190030653 /nfs/dbraw/zinc/03/06/53/190030653.db2.gz SFZSXYACMQQLHE-HNNXBMFYSA-N 2 2 289.423 2.506 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)cc[nH+]1 ZINC000257303152 190030654 /nfs/dbraw/zinc/03/06/54/190030654.db2.gz SFZSXYACMQQLHE-HNNXBMFYSA-N 2 2 289.423 2.506 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257309648 190031141 /nfs/dbraw/zinc/03/11/41/190031141.db2.gz UBUSZNLIZONGIQ-AWEZNQCLSA-N 2 2 270.380 2.801 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)[nH+]1 ZINC000257309648 190031142 /nfs/dbraw/zinc/03/11/42/190031142.db2.gz UBUSZNLIZONGIQ-AWEZNQCLSA-N 2 2 270.380 2.801 40 0 CFABLP c1cn(CC2CC2)c([C@@H]2C[NH2+]Cc3ccccc32)[nH+]1 ZINC000306130307 382452907 /nfs/dbraw/zinc/45/29/07/382452907.db2.gz JCAPAOAZKSWGMY-OAHLLOKOSA-N 2 2 253.349 2.528 40 0 CFABLP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCF)C3)C2)n1 ZINC000096216240 375480344 /nfs/dbraw/zinc/48/03/44/375480344.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCF)C3)C2)n1 ZINC000096216240 375480352 /nfs/dbraw/zinc/48/03/52/375480352.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCF)C3)C2)n1 ZINC000096216240 375480358 /nfs/dbraw/zinc/48/03/58/375480358.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCF)C3)C2)n1 ZINC000096216240 375480366 /nfs/dbraw/zinc/48/03/66/375480366.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 2 2 291.414 2.647 40 0 CFABLP CC[NH+](CC)CCC[NH2+]Cc1cnn(C2CCCC2)c1 ZINC000256055152 190005361 /nfs/dbraw/zinc/00/53/61/190005361.db2.gz ZKZWYTNXTBBQLD-UHFFFAOYSA-N 2 2 278.444 2.820 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)[nH+]1 ZINC000257315701 190032704 /nfs/dbraw/zinc/03/27/04/190032704.db2.gz VCLQDCNLQORPCV-CQSZACIVSA-N 2 2 287.411 2.875 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)[nH+]1 ZINC000257315701 190032705 /nfs/dbraw/zinc/03/27/05/190032705.db2.gz VCLQDCNLQORPCV-CQSZACIVSA-N 2 2 287.411 2.875 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc[nH+]1 ZINC000257336231 190036393 /nfs/dbraw/zinc/03/63/93/190036393.db2.gz YNPLMHUMYMLXTK-QGZVFWFLSA-N 2 2 296.418 2.922 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc[nH+]1 ZINC000257336231 190036394 /nfs/dbraw/zinc/03/63/94/190036394.db2.gz YNPLMHUMYMLXTK-QGZVFWFLSA-N 2 2 296.418 2.922 40 0 CFABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n1C ZINC000257298571 383495327 /nfs/dbraw/zinc/49/53/27/383495327.db2.gz RMIBPNNTSWYKLT-AWEZNQCLSA-N 2 2 299.422 2.773 40 0 CFABLP Cc1[nH+]cc(-c2nccnc2[C@H]2CCC[N@H+](C(C)C)C2)n1C ZINC000257298571 383495332 /nfs/dbraw/zinc/49/53/32/383495332.db2.gz RMIBPNNTSWYKLT-AWEZNQCLSA-N 2 2 299.422 2.773 40 0 CFABLP CCOc1ccc([C@@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038827575 174156242 /nfs/dbraw/zinc/15/62/42/174156242.db2.gz MUXBGKIJXFENMZ-MRXNPFEDSA-N 2 2 262.397 2.817 40 0 CFABLP [NH3+]CC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000041160929 174502839 /nfs/dbraw/zinc/50/28/39/174502839.db2.gz GLHZFLPHNVLMPN-UHFFFAOYSA-N 2 2 258.287 2.629 40 0 CFABLP [NH3+]CC[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000041160929 174502840 /nfs/dbraw/zinc/50/28/40/174502840.db2.gz GLHZFLPHNVLMPN-UHFFFAOYSA-N 2 2 258.287 2.629 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355531 176374777 /nfs/dbraw/zinc/37/47/77/176374777.db2.gz YBNNBJFEKAMTQC-AWEZNQCLSA-N 2 2 299.422 2.813 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355531 176374778 /nfs/dbraw/zinc/37/47/78/176374778.db2.gz YBNNBJFEKAMTQC-AWEZNQCLSA-N 2 2 299.422 2.813 40 0 CFABLP [NH3+]C1CC[NH+](Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000067801020 374003703 /nfs/dbraw/zinc/00/37/03/374003703.db2.gz RXXGHFWGYXAXMM-UHFFFAOYSA-N 2 2 276.277 2.768 40 0 CFABLP Clc1cc(Cl)c2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000068136445 374022181 /nfs/dbraw/zinc/02/21/81/374022181.db2.gz VSOITDZZFFENKT-UHFFFAOYSA-N 2 2 282.174 2.951 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@H+](CCc3ccc(F)cc3)C2)[nH+]1 ZINC000257211027 190012656 /nfs/dbraw/zinc/01/26/56/190012656.db2.gz BXFSRFJEYGNTRT-AWEZNQCLSA-N 2 2 273.355 2.889 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)[nH+]1 ZINC000257211027 190012657 /nfs/dbraw/zinc/01/26/57/190012657.db2.gz BXFSRFJEYGNTRT-AWEZNQCLSA-N 2 2 273.355 2.889 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000257231014 190016501 /nfs/dbraw/zinc/01/65/01/190016501.db2.gz GEVARSUDPCKPCU-KRWDZBQOSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)cc[nH+]1 ZINC000257231014 190016502 /nfs/dbraw/zinc/01/65/02/190016502.db2.gz GEVARSUDPCKPCU-KRWDZBQOSA-N 2 2 284.407 2.721 40 0 CFABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n1C ZINC000257309184 190031410 /nfs/dbraw/zinc/03/14/10/190031410.db2.gz TZWGQDJMPWESTL-CQSZACIVSA-N 2 2 299.422 2.773 40 0 CFABLP Cc1[nH+]cc(-c2cncc([C@@H]3CCC[N@H+](C(C)C)C3)n2)n1C ZINC000257309184 190031411 /nfs/dbraw/zinc/03/14/11/190031411.db2.gz TZWGQDJMPWESTL-CQSZACIVSA-N 2 2 299.422 2.773 40 0 CFABLP C[N@@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257293748 190028859 /nfs/dbraw/zinc/02/88/59/190028859.db2.gz QQZSLQKVJADSJC-RZFLPCETSA-N 2 2 270.420 2.832 40 0 CFABLP C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[NH2+]2 ZINC000257293748 190028860 /nfs/dbraw/zinc/02/88/60/190028860.db2.gz QQZSLQKVJADSJC-RZFLPCETSA-N 2 2 270.420 2.832 40 0 CFABLP S=C(NCCC[NH+]1CCCCCC1)Nc1cc[nH+]cc1 ZINC000225401862 382815515 /nfs/dbraw/zinc/81/55/15/382815515.db2.gz LTFKSRNLQVRJLN-UHFFFAOYSA-N 2 2 292.452 2.634 40 0 CFABLP Cc1ccc[nH+]c1N1CCCN(c2[nH+]cccc2C)CC1 ZINC000022115525 393487469 /nfs/dbraw/zinc/48/74/69/393487469.db2.gz DCZJHJUKHSVOPT-UHFFFAOYSA-N 2 2 282.391 2.810 40 0 CFABLP CCOc1ccc([C@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172594 171368936 /nfs/dbraw/zinc/36/89/36/171368936.db2.gz YLHITQLEVOFUJB-CJNGLKHVSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccc([C@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172594 171368938 /nfs/dbraw/zinc/36/89/38/171368938.db2.gz YLHITQLEVOFUJB-CJNGLKHVSA-N 2 2 262.397 2.817 40 0 CFABLP Clc1ccc(Cl)c(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000072203581 176341428 /nfs/dbraw/zinc/34/14/28/176341428.db2.gz AEPDNDMVCGIGBU-UHFFFAOYSA-N 2 2 259.180 2.835 40 0 CFABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000072350471 176373795 /nfs/dbraw/zinc/37/37/95/176373795.db2.gz GZECJIYXSBKEFK-CQSZACIVSA-N 2 2 297.406 2.784 40 0 CFABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000072350471 176373797 /nfs/dbraw/zinc/37/37/97/176373797.db2.gz GZECJIYXSBKEFK-CQSZACIVSA-N 2 2 297.406 2.784 40 0 CFABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049590 185072992 /nfs/dbraw/zinc/07/29/92/185072992.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049590 185072996 /nfs/dbraw/zinc/07/29/96/185072996.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC000096049590 185072997 /nfs/dbraw/zinc/07/29/97/185072997.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096049590 185072998 /nfs/dbraw/zinc/07/29/98/185072998.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP c1cc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)cs1 ZINC000096053787 185073769 /nfs/dbraw/zinc/07/37/69/185073769.db2.gz LQLMHLPVDPXAMO-HOTGVXAUSA-N 2 2 299.443 2.707 40 0 CFABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000019255086 372152059 /nfs/dbraw/zinc/15/20/59/372152059.db2.gz ALGYGDZFSQOXAW-NSHDSACASA-N 2 2 276.302 2.927 40 0 CFABLP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCF)C3)C2)n1 ZINC000096216238 375480088 /nfs/dbraw/zinc/48/00/88/375480088.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCF)C3)C2)n1 ZINC000096216238 375480094 /nfs/dbraw/zinc/48/00/94/375480094.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCF)C3)C2)n1 ZINC000096216238 375480104 /nfs/dbraw/zinc/48/01/04/375480104.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCF)C3)C2)n1 ZINC000096216238 375480111 /nfs/dbraw/zinc/48/01/11/375480111.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 2 2 291.414 2.647 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000257215939 190013114 /nfs/dbraw/zinc/01/31/14/190013114.db2.gz CSJIHWKMORKDLX-CYBMUJFWSA-N 2 2 291.345 2.996 40 0 CFABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000257215939 190013115 /nfs/dbraw/zinc/01/31/15/190013115.db2.gz CSJIHWKMORKDLX-CYBMUJFWSA-N 2 2 291.345 2.996 40 0 CFABLP C[N@@H+]1CCC[C@H]2[NH+](Cc3ccccn3)CCC[C@@]21C ZINC000257237701 190018134 /nfs/dbraw/zinc/01/81/34/190018134.db2.gz HHRRTVSCSIYRNU-CVEARBPZSA-N 2 2 259.397 2.530 40 0 CFABLP C[N@H+]1CCC[C@H]2[NH+](Cc3ccccn3)CCC[C@@]21C ZINC000257237701 190018135 /nfs/dbraw/zinc/01/81/35/190018135.db2.gz HHRRTVSCSIYRNU-CVEARBPZSA-N 2 2 259.397 2.530 40 0 CFABLP C[NH+]1CCC[C@H]2[N@H+](Cc3ccccn3)CCC[C@@]21C ZINC000257237701 190018136 /nfs/dbraw/zinc/01/81/36/190018136.db2.gz HHRRTVSCSIYRNU-CVEARBPZSA-N 2 2 259.397 2.530 40 0 CFABLP C[NH+]1CCC[C@H]2[N@@H+](Cc3ccccn3)CCC[C@@]21C ZINC000257237701 190018137 /nfs/dbraw/zinc/01/81/37/190018137.db2.gz HHRRTVSCSIYRNU-CVEARBPZSA-N 2 2 259.397 2.530 40 0 CFABLP CCc1[nH+]ccn1-c1ccnc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000257279464 190025431 /nfs/dbraw/zinc/02/54/31/190025431.db2.gz OGTZMKWMMWYSOL-CYBMUJFWSA-N 2 2 270.380 2.639 40 0 CFABLP CCc1[nH+]ccn1-c1ccnc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000257279464 190025432 /nfs/dbraw/zinc/02/54/32/190025432.db2.gz OGTZMKWMMWYSOL-CYBMUJFWSA-N 2 2 270.380 2.639 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257295958 190028242 /nfs/dbraw/zinc/02/82/42/190028242.db2.gz RAPQSHROPBAMHV-INIZCTEOSA-N 2 2 289.423 2.729 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](CC3CCOCC3)C2)cc[nH+]1 ZINC000257295958 190028243 /nfs/dbraw/zinc/02/82/43/190028243.db2.gz RAPQSHROPBAMHV-INIZCTEOSA-N 2 2 289.423 2.729 40 0 CFABLP Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)[nH+]1 ZINC000306140903 382452768 /nfs/dbraw/zinc/45/27/68/382452768.db2.gz VGMMNRHFPGMNPO-IAGOWNOFSA-N 2 2 294.402 2.638 40 0 CFABLP Cc1cccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccccn2)[nH+]1 ZINC000306140903 382452775 /nfs/dbraw/zinc/45/27/75/382452775.db2.gz VGMMNRHFPGMNPO-IAGOWNOFSA-N 2 2 294.402 2.638 40 0 CFABLP CNc1cc([C@H]2CCCN(c3cc(C)[nH+]cn3)C2)cc[nH+]1 ZINC000257342104 383494902 /nfs/dbraw/zinc/49/49/02/383494902.db2.gz ZNCPCYIXXNTTJS-AWEZNQCLSA-N 2 2 283.379 2.606 40 0 CFABLP CCOc1ccc([C@H](C[NH3+])[NH+]2CCC(C)CC2)cc1 ZINC000038827576 174155828 /nfs/dbraw/zinc/15/58/28/174155828.db2.gz MUXBGKIJXFENMZ-INIZCTEOSA-N 2 2 262.397 2.817 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072379100 176385583 /nfs/dbraw/zinc/38/55/83/176385583.db2.gz MBVWYFWVKYTOOA-ZDUSSCGKSA-N 2 2 270.380 2.639 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072379100 176385584 /nfs/dbraw/zinc/38/55/84/176385584.db2.gz MBVWYFWVKYTOOA-ZDUSSCGKSA-N 2 2 270.380 2.639 40 0 CFABLP Cc1cc(N(C)C)cc([C@H]2CCCN2Cc2[nH]cc[nH+]2)[nH+]1 ZINC000072380958 278703567 /nfs/dbraw/zinc/70/35/67/278703567.db2.gz FKQACOPJTZQANO-OAHLLOKOSA-N 2 2 285.395 2.516 40 0 CFABLP CC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049588 185072716 /nfs/dbraw/zinc/07/27/16/185072716.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049588 185072719 /nfs/dbraw/zinc/07/27/19/185072719.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049588 185072720 /nfs/dbraw/zinc/07/27/20/185072720.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000096049588 185072722 /nfs/dbraw/zinc/07/27/22/185072722.db2.gz WCKVCQFOWLASCT-INIZCTEOSA-N 2 2 294.464 2.682 40 0 CFABLP c1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074713 /nfs/dbraw/zinc/07/47/13/185074713.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074715 /nfs/dbraw/zinc/07/47/15/185074715.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074717 /nfs/dbraw/zinc/07/47/17/185074717.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)c1 ZINC000096053723 185074718 /nfs/dbraw/zinc/07/47/18/185074718.db2.gz ACJOLGHVDXJSNP-IYBDPMFKSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)cs1 ZINC000096053728 185074919 /nfs/dbraw/zinc/07/49/19/185074919.db2.gz ZKJRVYIHLDIHNC-IAGOWNOFSA-N 2 2 299.443 2.707 40 0 CFABLP CC(C)[N@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000032118445 372430531 /nfs/dbraw/zinc/43/05/31/372430531.db2.gz LDBRGDQXGCDYKQ-UHFFFAOYSA-N 2 2 271.202 2.618 40 0 CFABLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(Br)c1 ZINC000032118445 372430535 /nfs/dbraw/zinc/43/05/35/372430535.db2.gz LDBRGDQXGCDYKQ-UHFFFAOYSA-N 2 2 271.202 2.618 40 0 CFABLP CCOc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000036092742 372556027 /nfs/dbraw/zinc/55/60/27/372556027.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000036092742 372556034 /nfs/dbraw/zinc/55/60/34/372556034.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 2 2 262.397 2.817 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@H+](CCc3ccc(F)cc3)C2)[nH+]1 ZINC000257211028 190011927 /nfs/dbraw/zinc/01/19/27/190011927.db2.gz BXFSRFJEYGNTRT-CQSZACIVSA-N 2 2 273.355 2.889 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CCc3ccc(F)cc3)C2)[nH+]1 ZINC000257211028 190011928 /nfs/dbraw/zinc/01/19/28/190011928.db2.gz BXFSRFJEYGNTRT-CQSZACIVSA-N 2 2 273.355 2.889 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000257341941 190037430 /nfs/dbraw/zinc/03/74/30/190037430.db2.gz ZMMUWYXZQIIBEV-OAHLLOKOSA-N 2 2 285.391 2.977 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000257341941 190037431 /nfs/dbraw/zinc/03/74/31/190037431.db2.gz ZMMUWYXZQIIBEV-OAHLLOKOSA-N 2 2 285.391 2.977 40 0 CFABLP CNc1cc(C[NH+](C)C)nc([C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000072370073 176384334 /nfs/dbraw/zinc/38/43/34/176384334.db2.gz WTEXAXYYVHVCLM-CQSZACIVSA-N 2 2 291.443 2.515 40 0 CFABLP CNc1cc(C[NH+](C)C)nc([C@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072370073 176384336 /nfs/dbraw/zinc/38/43/36/176384336.db2.gz WTEXAXYYVHVCLM-CQSZACIVSA-N 2 2 291.443 2.515 40 0 CFABLP Cc1cccc(Nc2ccc([C@@H]3CCC[NH2+]3)nc2)[nH+]1 ZINC000072376692 176385327 /nfs/dbraw/zinc/38/53/27/176385327.db2.gz QZOYTGVJWRMTQT-ZDUSSCGKSA-N 2 2 254.337 2.953 40 0 CFABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3C3CCCC3)n2)c[nH+]1 ZINC000072378704 176386031 /nfs/dbraw/zinc/38/60/31/176386031.db2.gz CVTVPAFAFNGKST-OAHLLOKOSA-N 2 2 283.379 2.742 40 0 CFABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCCC3)n2)c[nH+]1 ZINC000072378704 176386032 /nfs/dbraw/zinc/38/60/32/176386032.db2.gz CVTVPAFAFNGKST-OAHLLOKOSA-N 2 2 283.379 2.742 40 0 CFABLP c1ccc(C[NH+]2C[C@@H]3CN(c4cccc[nH+]4)C[C@H]3C2)cc1 ZINC000307010282 333011551 /nfs/dbraw/zinc/01/15/51/333011551.db2.gz NSIHZNIMTGCVJZ-IAGOWNOFSA-N 2 2 279.387 2.650 40 0 CFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072434 /nfs/dbraw/zinc/07/24/34/185072434.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072435 /nfs/dbraw/zinc/07/24/35/185072435.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072436 /nfs/dbraw/zinc/07/24/36/185072436.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CC4CC4)C3)C2)nc1 ZINC000096046965 185072437 /nfs/dbraw/zinc/07/24/37/185072437.db2.gz NXGNKVGMDDHSCF-SFHVURJKSA-N 2 2 285.435 2.780 40 0 CFABLP Fc1cccc(C[NH+]2C[C@H]3C[NH+](CC4CC4)C[C@@H]3C2)c1 ZINC000096053901 185075736 /nfs/dbraw/zinc/07/57/36/185075736.db2.gz OHHSYLQWTGNDPL-HZPDHXFCSA-N 2 2 274.383 2.599 40 0 CFABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053793 185075795 /nfs/dbraw/zinc/07/57/95/185075795.db2.gz FODQKOBDPUAGEG-HOTGVXAUSA-N 2 2 297.402 2.547 40 0 CFABLP c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[NH2+]CC1 ZINC000041392404 372835461 /nfs/dbraw/zinc/83/54/61/372835461.db2.gz REDMDDVGOFVZQJ-UHFFFAOYSA-N 2 2 270.376 2.514 40 0 CFABLP c1ccc2c(c1)cccc2OCC[N@H+]1CCC[NH2+]CC1 ZINC000041392404 372835466 /nfs/dbraw/zinc/83/54/66/372835466.db2.gz REDMDDVGOFVZQJ-UHFFFAOYSA-N 2 2 270.376 2.514 40 0 CFABLP c1cn(-c2nccnc2[C@H]2CCC[N@H+]2C2CCCC2)c[nH+]1 ZINC000072359232 374245672 /nfs/dbraw/zinc/24/56/72/374245672.db2.gz BMFBPSFUFNLRNI-CQSZACIVSA-N 2 2 283.379 2.742 40 0 CFABLP c1cn(-c2nccnc2[C@H]2CCC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000072359232 374245683 /nfs/dbraw/zinc/24/56/83/374245683.db2.gz BMFBPSFUFNLRNI-CQSZACIVSA-N 2 2 283.379 2.742 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CCC(F)(F)F)C2)[nH+]1 ZINC000257200723 190010839 /nfs/dbraw/zinc/01/08/39/190010839.db2.gz AEQOABXQWRHISK-SNVBAGLBSA-N 2 2 261.291 2.850 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CCC(F)(F)F)C2)[nH+]1 ZINC000257200723 190010840 /nfs/dbraw/zinc/01/08/40/190010840.db2.gz AEQOABXQWRHISK-SNVBAGLBSA-N 2 2 261.291 2.850 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257261283 190022465 /nfs/dbraw/zinc/02/24/65/190022465.db2.gz LGOCPIBHSRQENX-CYBMUJFWSA-N 2 2 288.420 2.959 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257261283 190022466 /nfs/dbraw/zinc/02/24/66/190022466.db2.gz LGOCPIBHSRQENX-CYBMUJFWSA-N 2 2 288.420 2.959 40 0 CFABLP CCOCC[NH+]1CCC(Cc2cc[nH+]c(C)c2)CC1 ZINC000257301582 190030592 /nfs/dbraw/zinc/03/05/92/190030592.db2.gz RZBBSKBQEIWLBK-UHFFFAOYSA-N 2 2 262.397 2.681 40 0 CFABLP c1cn(Cc2ccccn2)c([C@H]2C[NH2+]Cc3ccccc32)[nH+]1 ZINC000306137761 382453394 /nfs/dbraw/zinc/45/33/94/382453394.db2.gz RFFSXBVQGBZRJP-KRWDZBQOSA-N 2 2 290.370 2.562 40 0 CFABLP Clc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000072203618 176341536 /nfs/dbraw/zinc/34/15/36/176341536.db2.gz AXETWNRBRJMSOP-SNVBAGLBSA-N 2 2 259.180 2.835 40 0 CFABLP Cc1cccc(Nc2ccc([C@H]3CCC[NH2+]3)nc2)[nH+]1 ZINC000072376693 176384919 /nfs/dbraw/zinc/38/49/19/176384919.db2.gz QZOYTGVJWRMTQT-CYBMUJFWSA-N 2 2 254.337 2.953 40 0 CFABLP c1ccc(C[NH+]2C[C@H]3CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000307010285 333011401 /nfs/dbraw/zinc/01/14/01/333011401.db2.gz NSIHZNIMTGCVJZ-IRXDYDNUSA-N 2 2 279.387 2.650 40 0 CFABLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046929 185073544 /nfs/dbraw/zinc/07/35/44/185073544.db2.gz YYUXSBZMXRALSG-KRWDZBQOSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000096046929 185073545 /nfs/dbraw/zinc/07/35/45/185073545.db2.gz YYUXSBZMXRALSG-KRWDZBQOSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000096046929 185073548 /nfs/dbraw/zinc/07/35/48/185073548.db2.gz YYUXSBZMXRALSG-KRWDZBQOSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000096046929 185073551 /nfs/dbraw/zinc/07/35/51/185073551.db2.gz YYUXSBZMXRALSG-KRWDZBQOSA-N 2 2 274.408 2.978 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000019843412 372197390 /nfs/dbraw/zinc/19/73/90/372197390.db2.gz IEKPCSPITOZRTG-VIFPVBQESA-N 2 2 289.242 2.681 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000019843412 372197397 /nfs/dbraw/zinc/19/73/97/372197397.db2.gz IEKPCSPITOZRTG-VIFPVBQESA-N 2 2 289.242 2.681 40 0 CFABLP Cc1nc(N2CCC([NH3+])CC2)cc(-c2ccc(F)cc2)[nH+]1 ZINC000070458545 374181283 /nfs/dbraw/zinc/18/12/83/374181283.db2.gz NNRDFKGQARGLCP-UHFFFAOYSA-N 2 2 286.354 2.519 40 0 CFABLP CCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000096215221 375477468 /nfs/dbraw/zinc/47/74/68/375477468.db2.gz ZSIMGBPZTZLYCN-INIZCTEOSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)o1 ZINC000096215221 375477475 /nfs/dbraw/zinc/47/74/75/375477475.db2.gz ZSIMGBPZTZLYCN-INIZCTEOSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000096215221 375477483 /nfs/dbraw/zinc/47/74/83/375477483.db2.gz ZSIMGBPZTZLYCN-INIZCTEOSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)o1 ZINC000096215221 375477489 /nfs/dbraw/zinc/47/74/89/375477489.db2.gz ZSIMGBPZTZLYCN-INIZCTEOSA-N 2 2 262.397 2.760 40 0 CFABLP CCc1[nH+]ccn1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000257229303 190015850 /nfs/dbraw/zinc/01/58/50/190015850.db2.gz FXOSRZPCBZWDLD-AWEZNQCLSA-N 2 2 270.380 2.987 40 0 CFABLP CCc1[nH+]ccn1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000257229303 190015851 /nfs/dbraw/zinc/01/58/51/190015851.db2.gz FXOSRZPCBZWDLD-AWEZNQCLSA-N 2 2 270.380 2.987 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000257278365 190025894 /nfs/dbraw/zinc/02/58/94/190025894.db2.gz OBYRUEORQBNDNK-MRXNPFEDSA-N 2 2 296.418 2.922 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000257278365 190025895 /nfs/dbraw/zinc/02/58/95/190025895.db2.gz OBYRUEORQBNDNK-MRXNPFEDSA-N 2 2 296.418 2.922 40 0 CFABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)cn1 ZINC000257298092 190029550 /nfs/dbraw/zinc/02/95/50/190029550.db2.gz RKCHYZGFQJOMPX-MRXNPFEDSA-N 2 2 299.422 2.719 40 0 CFABLP CCn1cc(C[N@H+]2CCC[C@@H](c3cc[nH+]c(NC)c3)C2)cn1 ZINC000257298092 190029551 /nfs/dbraw/zinc/02/95/51/190029551.db2.gz RKCHYZGFQJOMPX-MRXNPFEDSA-N 2 2 299.422 2.719 40 0 CFABLP [NH3+]CCNc1cc[nH+]c2cc(Cl)cc(Cl)c12 ZINC000222680776 382803237 /nfs/dbraw/zinc/80/32/37/382803237.db2.gz ASCAFBDLKXSLBF-UHFFFAOYSA-N 2 2 256.136 2.912 40 0 CFABLP c1cn(CC2CC2)c([C@H]2C[NH2+]Cc3ccccc32)[nH+]1 ZINC000306130306 285535722 /nfs/dbraw/zinc/53/57/22/285535722.db2.gz JCAPAOAZKSWGMY-HNNXBMFYSA-N 2 2 253.349 2.528 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000044471107 175177527 /nfs/dbraw/zinc/17/75/27/175177527.db2.gz MCWUWORQEFEHSJ-VIFPVBQESA-N 2 2 289.242 2.681 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000044471107 175177528 /nfs/dbraw/zinc/17/75/28/175177528.db2.gz MCWUWORQEFEHSJ-VIFPVBQESA-N 2 2 289.242 2.681 40 0 CFABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000072354272 176375269 /nfs/dbraw/zinc/37/52/69/176375269.db2.gz BICBSWDWRZJBIN-CYBMUJFWSA-N 2 2 283.379 2.733 40 0 CFABLP Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000072354272 176375271 /nfs/dbraw/zinc/37/52/71/176375271.db2.gz BICBSWDWRZJBIN-CYBMUJFWSA-N 2 2 283.379 2.733 40 0 CFABLP COc1ccc(Cl)c2c(N3CC[NH2+]CC3)cc(C)[nH+]c12 ZINC000225322126 277903223 /nfs/dbraw/zinc/90/32/23/277903223.db2.gz VQRLSQRMUYSREE-UHFFFAOYSA-N 2 2 291.782 2.615 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)c1 ZINC000096053781 185074290 /nfs/dbraw/zinc/07/42/90/185074290.db2.gz QAGHXNLTGUOAEA-HUUCEWRRSA-N 2 2 299.443 2.707 40 0 CFABLP c1ccc2c(c1)[nH+]c(C1CC1)n2C[C@@H]1CCC[NH2+]C1 ZINC000057865714 373616409 /nfs/dbraw/zinc/61/64/09/373616409.db2.gz KGNJGTZIVOKTMW-GFCCVEGCSA-N 2 2 255.365 2.913 40 0 CFABLP CNc1cc(C2CCN(c3cc(C)[nH+]cn3)CC2)cc[nH+]1 ZINC000072364079 374245875 /nfs/dbraw/zinc/24/58/75/374245875.db2.gz OVTOKAJDIIDESL-UHFFFAOYSA-N 2 2 283.379 2.606 40 0 CFABLP CNc1cccc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000072364316 374246363 /nfs/dbraw/zinc/24/63/63/374246363.db2.gz ODDWGEBNTSQUSI-ZDUSSCGKSA-N 2 2 283.379 2.606 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000257237224 190017716 /nfs/dbraw/zinc/01/77/16/190017716.db2.gz HFPYISRRAZKQMA-LBPRGKRZSA-N 2 2 277.318 2.986 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1 ZINC000257237224 190017717 /nfs/dbraw/zinc/01/77/17/190017717.db2.gz HFPYISRRAZKQMA-LBPRGKRZSA-N 2 2 277.318 2.986 40 0 CFABLP CCC[NH+]1CCC2(Cc3[nH+]cc(-c4cccnc4)n3C2)CC1 ZINC000306140012 382452533 /nfs/dbraw/zinc/45/25/33/382452533.db2.gz UHEKIWIOGCSPBV-UHFFFAOYSA-N 2 2 296.418 2.993 40 0 CFABLP C[N@@H+]1CC[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510461 393834480 /nfs/dbraw/zinc/83/44/80/393834480.db2.gz SXLMTTGGODEZDB-CQSZACIVSA-N 2 2 250.773 2.969 40 0 CFABLP C[N@H+]1CC[C@@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510461 393834484 /nfs/dbraw/zinc/83/44/84/393834484.db2.gz SXLMTTGGODEZDB-CQSZACIVSA-N 2 2 250.773 2.969 40 0 CFABLP Cc1cccc(CNc2cc([C@@H]3CCC[NH2+]C3)cc[nH+]2)n1 ZINC000072365289 176380340 /nfs/dbraw/zinc/38/03/40/176380340.db2.gz YQNGBBJRDUAEQU-OAHLLOKOSA-N 2 2 282.391 2.864 40 0 CFABLP Cc1cccc(CNc2cc([C@H]3CCC[NH2+]C3)cc[nH+]2)n1 ZINC000072365290 176380481 /nfs/dbraw/zinc/38/04/81/176380481.db2.gz YQNGBBJRDUAEQU-HNNXBMFYSA-N 2 2 282.391 2.864 40 0 CFABLP CNc1cc(C[NH+](C)C)nc([C@@H]2CCCC[N@@H+]2C(C)C)n1 ZINC000072370074 176383952 /nfs/dbraw/zinc/38/39/52/176383952.db2.gz WTEXAXYYVHVCLM-AWEZNQCLSA-N 2 2 291.443 2.515 40 0 CFABLP CNc1cc(C[NH+](C)C)nc([C@@H]2CCCC[N@H+]2C(C)C)n1 ZINC000072370074 176383953 /nfs/dbraw/zinc/38/39/53/176383953.db2.gz WTEXAXYYVHVCLM-AWEZNQCLSA-N 2 2 291.443 2.515 40 0 CFABLP c1csc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)c1 ZINC000096053725 185075068 /nfs/dbraw/zinc/07/50/68/185075068.db2.gz ACJOLGHVDXJSNP-HZPDHXFCSA-N 2 2 299.443 2.707 40 0 CFABLP CC[NH+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000002022106 371714051 /nfs/dbraw/zinc/71/40/51/371714051.db2.gz NLJPTKGVXAQZAN-UHFFFAOYSA-N 2 2 275.440 2.541 40 0 CFABLP [NH3+][C@H](c1ccc(F)c(F)c1)[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000067794694 374001562 /nfs/dbraw/zinc/00/15/62/374001562.db2.gz JAHUVZNVYIGQKH-ZIAGYGMSSA-N 2 2 284.256 2.943 40 0 CFABLP Cc1cc(N2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070451656 374177231 /nfs/dbraw/zinc/17/72/31/374177231.db2.gz DNYKVAHJDNSUNL-UHFFFAOYSA-N 2 2 288.782 2.515 40 0 CFABLP CC(C)[N@H+](C)Cc1cncc2c1CCN(c1cccc[nH+]1)C2 ZINC000096067402 375469139 /nfs/dbraw/zinc/46/91/39/375469139.db2.gz KORDPPRDNVVZDF-UHFFFAOYSA-N 2 2 296.418 2.880 40 0 CFABLP CC(C)[N@@H+](C)Cc1cncc2c1CCN(c1cccc[nH+]1)C2 ZINC000096067402 375469144 /nfs/dbraw/zinc/46/91/44/375469144.db2.gz KORDPPRDNVVZDF-UHFFFAOYSA-N 2 2 296.418 2.880 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](CCC(F)(F)F)C2)[nH+]1 ZINC000257200722 190011053 /nfs/dbraw/zinc/01/10/53/190011053.db2.gz AEQOABXQWRHISK-JTQLQIEISA-N 2 2 261.291 2.850 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CCC(F)(F)F)C2)[nH+]1 ZINC000257200722 190011054 /nfs/dbraw/zinc/01/10/54/190011054.db2.gz AEQOABXQWRHISK-JTQLQIEISA-N 2 2 261.291 2.850 40 0 CFABLP CC(C)c1[nH+]ccn1-c1ccnc([C@@H]2CCC[NH2+]C2)c1 ZINC000257236425 190017981 /nfs/dbraw/zinc/01/79/81/190017981.db2.gz HCDDEJNDSYZAKL-CYBMUJFWSA-N 2 2 270.380 2.858 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000257278364 190025881 /nfs/dbraw/zinc/02/58/81/190025881.db2.gz OBYRUEORQBNDNK-INIZCTEOSA-N 2 2 296.418 2.922 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc[nH+]1 ZINC000257278364 190025882 /nfs/dbraw/zinc/02/58/82/190025882.db2.gz OBYRUEORQBNDNK-INIZCTEOSA-N 2 2 296.418 2.922 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257299630 190029896 /nfs/dbraw/zinc/02/98/96/190029896.db2.gz RQVPDVWDQITBQK-CQSZACIVSA-N 2 2 277.412 2.593 40 0 CFABLP Cc1c[nH]c([C@@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257299630 190029897 /nfs/dbraw/zinc/02/98/97/190029897.db2.gz RQVPDVWDQITBQK-CQSZACIVSA-N 2 2 277.412 2.593 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cccn3C)C2)cc[nH+]1 ZINC000257334331 190036535 /nfs/dbraw/zinc/03/65/35/190036535.db2.gz YFLHQZYNWZQHKI-OAHLLOKOSA-N 2 2 284.407 2.841 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cccn3C)C2)cc[nH+]1 ZINC000257334331 190036536 /nfs/dbraw/zinc/03/65/36/190036536.db2.gz YFLHQZYNWZQHKI-OAHLLOKOSA-N 2 2 284.407 2.841 40 0 CFABLP Cc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2ccccn2)[nH+]1 ZINC000306140902 382453068 /nfs/dbraw/zinc/45/30/68/382453068.db2.gz VGMMNRHFPGMNPO-DLBZAZTESA-N 2 2 294.402 2.638 40 0 CFABLP Cc1cccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2ccccn2)[nH+]1 ZINC000306140902 382453074 /nfs/dbraw/zinc/45/30/74/382453074.db2.gz VGMMNRHFPGMNPO-DLBZAZTESA-N 2 2 294.402 2.638 40 0 CFABLP C[NH+]1CCC2(Cc3[nH+]cc(-c4ccccc4)n3C2)CC1 ZINC000306137908 382453177 /nfs/dbraw/zinc/45/31/77/382453177.db2.gz RJVASKUIYNHUAM-UHFFFAOYSA-N 2 2 267.376 2.818 40 0 CFABLP c1ccc2cc(OCC[N@@H+]3CCC[NH2+]CC3)ccc2c1 ZINC000037400108 173177564 /nfs/dbraw/zinc/17/75/64/173177564.db2.gz ZNBYRCGMQXPFGJ-UHFFFAOYSA-N 2 2 270.376 2.514 40 0 CFABLP c1ccc2cc(OCC[N@H+]3CCC[NH2+]CC3)ccc2c1 ZINC000037400108 173177567 /nfs/dbraw/zinc/17/75/67/173177567.db2.gz ZNBYRCGMQXPFGJ-UHFFFAOYSA-N 2 2 270.376 2.514 40 0 CFABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCCC3)n2)c[nH+]1 ZINC000072378703 176385665 /nfs/dbraw/zinc/38/56/65/176385665.db2.gz CVTVPAFAFNGKST-HNNXBMFYSA-N 2 2 283.379 2.742 40 0 CFABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)c[nH+]1 ZINC000072378703 176385667 /nfs/dbraw/zinc/38/56/67/176385667.db2.gz CVTVPAFAFNGKST-HNNXBMFYSA-N 2 2 283.379 2.742 40 0 CFABLP C[NH+](C)[C@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000038809115 276851022 /nfs/dbraw/zinc/85/10/22/276851022.db2.gz YIVRIGOWKLXVHX-QGZVFWFLSA-N 2 2 270.376 2.827 40 0 CFABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049589 279382705 /nfs/dbraw/zinc/38/27/05/279382705.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049589 279382710 /nfs/dbraw/zinc/38/27/10/279382710.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC000096049589 279382713 /nfs/dbraw/zinc/38/27/13/279382713.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096049589 279382715 /nfs/dbraw/zinc/38/27/15/279382715.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP C[N@@H+]1CCCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096051201 185073723 /nfs/dbraw/zinc/07/37/23/185073723.db2.gz DWTBEAIRRFBODW-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP C[N@H+]1CCCCC12CC[NH+](Cc1ccncc1)CC2 ZINC000096051201 185073724 /nfs/dbraw/zinc/07/37/24/185073724.db2.gz DWTBEAIRRFBODW-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP C[N@@H+]1CCCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096051200 185073954 /nfs/dbraw/zinc/07/39/54/185073954.db2.gz MDUJVDCDDIZZMI-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP C[N@H+]1CCCCC12CC[NH+](Cc1cccnc1)CC2 ZINC000096051200 185073955 /nfs/dbraw/zinc/07/39/55/185073955.db2.gz MDUJVDCDDIZZMI-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP [NH3+]CCCc1[nH+]c2ccccc2n1Cc1ccccc1 ZINC000019734011 372182188 /nfs/dbraw/zinc/18/21/88/372182188.db2.gz MHNWMAJRJAJBNR-UHFFFAOYSA-N 2 2 265.360 2.976 40 0 CFABLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000040448299 372782181 /nfs/dbraw/zinc/78/21/81/372782181.db2.gz CLSTZLUWCPPWLH-KRWDZBQOSA-N 2 2 252.361 2.572 40 0 CFABLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC000040448299 372782192 /nfs/dbraw/zinc/78/21/92/372782192.db2.gz CLSTZLUWCPPWLH-KRWDZBQOSA-N 2 2 252.361 2.572 40 0 CFABLP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC4CCCC4)C[C@H]3C2)nc1 ZINC000096161615 375472259 /nfs/dbraw/zinc/47/22/59/375472259.db2.gz SEROEZSOQYMWBY-CALCHBBNSA-N 2 2 285.435 2.635 40 0 CFABLP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC4CCCC4)C[C@H]3C2)nc1 ZINC000096161615 375472263 /nfs/dbraw/zinc/47/22/63/375472263.db2.gz SEROEZSOQYMWBY-CALCHBBNSA-N 2 2 285.435 2.635 40 0 CFABLP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)nc1 ZINC000096161615 375472266 /nfs/dbraw/zinc/47/22/66/375472266.db2.gz SEROEZSOQYMWBY-CALCHBBNSA-N 2 2 285.435 2.635 40 0 CFABLP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC4CCCC4)C[C@H]3C2)nc1 ZINC000096161615 375472269 /nfs/dbraw/zinc/47/22/69/375472269.db2.gz SEROEZSOQYMWBY-CALCHBBNSA-N 2 2 285.435 2.635 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccs3)C2)[nH+]1 ZINC000257233693 190016650 /nfs/dbraw/zinc/01/66/50/190016650.db2.gz GQGHAQXDHAWGTR-LBPRGKRZSA-N 2 2 261.394 2.780 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cccs3)C2)[nH+]1 ZINC000257233693 190016651 /nfs/dbraw/zinc/01/66/51/190016651.db2.gz GQGHAQXDHAWGTR-LBPRGKRZSA-N 2 2 261.394 2.780 40 0 CFABLP Cc1c(C[N@@H+]2CCC[C@H](Cc3ccc(C)[nH+]c3)C2)cnn1C ZINC000257218259 190014227 /nfs/dbraw/zinc/01/42/27/190014227.db2.gz DCKSYAKJDOGYLH-QGZVFWFLSA-N 2 2 298.434 2.887 40 0 CFABLP Cc1c(C[N@H+]2CCC[C@H](Cc3ccc(C)[nH+]c3)C2)cnn1C ZINC000257218259 190014228 /nfs/dbraw/zinc/01/42/28/190014228.db2.gz DCKSYAKJDOGYLH-QGZVFWFLSA-N 2 2 298.434 2.887 40 0 CFABLP c1cn2c(cccc2C2CC[NH+](Cc3cnccn3)CC2)[nH+]1 ZINC000257254810 190020784 /nfs/dbraw/zinc/02/07/84/190020784.db2.gz KETOXHRYCHTQKD-UHFFFAOYSA-N 2 2 293.374 2.504 40 0 CFABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n1C ZINC000257309183 190031295 /nfs/dbraw/zinc/03/12/95/190031295.db2.gz TZWGQDJMPWESTL-AWEZNQCLSA-N 2 2 299.422 2.773 40 0 CFABLP Cc1[nH+]cc(-c2cncc([C@H]3CCC[N@H+](C(C)C)C3)n2)n1C ZINC000257309183 190031296 /nfs/dbraw/zinc/03/12/96/190031296.db2.gz TZWGQDJMPWESTL-AWEZNQCLSA-N 2 2 299.422 2.773 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257314977 190032476 /nfs/dbraw/zinc/03/24/76/190032476.db2.gz UZJVIGKUEGACEH-ZDUSSCGKSA-N 2 2 288.420 2.959 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257314977 190032477 /nfs/dbraw/zinc/03/24/77/190032477.db2.gz UZJVIGKUEGACEH-ZDUSSCGKSA-N 2 2 288.420 2.959 40 0 CFABLP CC[NH+](CC)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000019255088 284811297 /nfs/dbraw/zinc/81/12/97/284811297.db2.gz ALGYGDZFSQOXAW-LLVKDONJSA-N 2 2 276.302 2.927 40 0 CFABLP Clc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Cl ZINC000072203570 176341445 /nfs/dbraw/zinc/34/14/45/176341445.db2.gz QUPHXMYPFMPSQU-JTQLQIEISA-N 2 2 259.180 2.835 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072379095 176385836 /nfs/dbraw/zinc/38/58/36/176385836.db2.gz JEPHHNIZGYLMIY-ZDUSSCGKSA-N 2 2 256.353 2.596 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072379095 176385837 /nfs/dbraw/zinc/38/58/37/176385837.db2.gz JEPHHNIZGYLMIY-ZDUSSCGKSA-N 2 2 256.353 2.596 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000049345421 527211700 /nfs/dbraw/zinc/21/17/00/527211700.db2.gz UJYCAZKOJAQSRZ-JTQLQIEISA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000049345421 527211708 /nfs/dbraw/zinc/21/17/08/527211708.db2.gz UJYCAZKOJAQSRZ-JTQLQIEISA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000049345418 527233197 /nfs/dbraw/zinc/23/31/97/527233197.db2.gz UJYCAZKOJAQSRZ-SNVBAGLBSA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000049345418 527233201 /nfs/dbraw/zinc/23/32/01/527233201.db2.gz UJYCAZKOJAQSRZ-SNVBAGLBSA-N 2 2 256.752 2.650 40 0 CFABLP c1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)c1 ZINC000096053780 185074921 /nfs/dbraw/zinc/07/49/21/185074921.db2.gz QAGHXNLTGUOAEA-GJZGRUSLSA-N 2 2 299.443 2.707 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053792 185075976 /nfs/dbraw/zinc/07/59/76/185075976.db2.gz FODQKOBDPUAGEG-HZPDHXFCSA-N 2 2 297.402 2.547 40 0 CFABLP CC(C)C[NH+]1CC2(C1)CC[N@H+](Cc1ccccc1)C2 ZINC000096070794 185086987 /nfs/dbraw/zinc/08/69/87/185086987.db2.gz MHOOWKDPFUFCPF-UHFFFAOYSA-N 2 2 258.409 2.850 40 0 CFABLP CC(C)C[NH+]1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC000096070794 185086988 /nfs/dbraw/zinc/08/69/88/185086988.db2.gz MHOOWKDPFUFCPF-UHFFFAOYSA-N 2 2 258.409 2.850 40 0 CFABLP Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c[nH+]1 ZINC000585181340 348738006 /nfs/dbraw/zinc/73/80/06/348738006.db2.gz OQYONURKQVOSQI-MRXNPFEDSA-N 2 2 284.407 2.578 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccsc3)C2)[nH+]1 ZINC000205707015 540880884 /nfs/dbraw/zinc/88/08/84/540880884.db2.gz ZZGRZONQNWBIQH-ZDUSSCGKSA-N 2 2 261.394 2.780 40 0 CFABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccsc3)C2)[nH+]1 ZINC000205707015 540880886 /nfs/dbraw/zinc/88/08/86/540880886.db2.gz ZZGRZONQNWBIQH-ZDUSSCGKSA-N 2 2 261.394 2.780 40 0 CFABLP CCOc1ccccc1[C@@H](C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000036092740 372556521 /nfs/dbraw/zinc/55/65/21/372556521.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccccc1[C@@H](C[NH3+])[N@H+]1CCC[C@H](C)C1 ZINC000036092740 372556525 /nfs/dbraw/zinc/55/65/25/372556525.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 2 2 262.397 2.817 40 0 CFABLP [NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCC1 ZINC000095098743 375416307 /nfs/dbraw/zinc/41/63/07/375416307.db2.gz JTYBDNYRPPLXEW-LBPRGKRZSA-N 2 2 274.286 2.681 40 0 CFABLP Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccccn2)[nH+]1 ZINC000096184720 375474784 /nfs/dbraw/zinc/47/47/84/375474784.db2.gz VGMMNRHFPGMNPO-IRXDYDNUSA-N 2 2 294.402 2.638 40 0 CFABLP Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2ccccn2)[nH+]1 ZINC000096184720 375474787 /nfs/dbraw/zinc/47/47/87/375474787.db2.gz VGMMNRHFPGMNPO-IRXDYDNUSA-N 2 2 294.402 2.638 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257261284 190022553 /nfs/dbraw/zinc/02/25/53/190022553.db2.gz LGOCPIBHSRQENX-ZDUSSCGKSA-N 2 2 288.420 2.959 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3nccs3)C2)cc[nH+]1 ZINC000257261284 190022554 /nfs/dbraw/zinc/02/25/54/190022554.db2.gz LGOCPIBHSRQENX-ZDUSSCGKSA-N 2 2 288.420 2.959 40 0 CFABLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257300056 190029272 /nfs/dbraw/zinc/02/92/72/190029272.db2.gz RSSHOIAWCDJONI-MRXNPFEDSA-N 2 2 284.407 2.611 40 0 CFABLP Cc1[nH+]cc(-c2nccnc2[C@@H]2CCC[N@H+](C(C)C)C2)n1C ZINC000257298572 190029434 /nfs/dbraw/zinc/02/94/34/190029434.db2.gz RMIBPNNTSWYKLT-CQSZACIVSA-N 2 2 299.422 2.773 40 0 CFABLP CCn1cc(C[N@@H+]2CCC[C@H](c3cc[nH+]c(NC)c3)C2)cn1 ZINC000257298091 190029701 /nfs/dbraw/zinc/02/97/01/190029701.db2.gz RKCHYZGFQJOMPX-INIZCTEOSA-N 2 2 299.422 2.719 40 0 CFABLP CCn1cc(C[N@H+]2CCC[C@H](c3cc[nH+]c(NC)c3)C2)cn1 ZINC000257298091 190029702 /nfs/dbraw/zinc/02/97/02/190029702.db2.gz RKCHYZGFQJOMPX-INIZCTEOSA-N 2 2 299.422 2.719 40 0 CFABLP Cc1[nH+]cc(-c2nccnc2C2CC[NH+](C(C)C)CC2)n1C ZINC000257288308 383494564 /nfs/dbraw/zinc/49/45/64/383494564.db2.gz PTRZYFKYQYPPKA-UHFFFAOYSA-N 2 2 299.422 2.773 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](C(C)C)C2)n1 ZINC000072355530 176374636 /nfs/dbraw/zinc/37/46/36/176374636.db2.gz YBNNBJFEKAMTQC-CQSZACIVSA-N 2 2 299.422 2.813 40 0 CFABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC000072355530 176374638 /nfs/dbraw/zinc/37/46/38/176374638.db2.gz YBNNBJFEKAMTQC-CQSZACIVSA-N 2 2 299.422 2.813 40 0 CFABLP CNc1cc([C@@H]2CCCN(c3cc(C)[nH+]cn3)C2)cc[nH+]1 ZINC000257342105 273975194 /nfs/dbraw/zinc/97/51/94/273975194.db2.gz ZNCPCYIXXNTTJS-CQSZACIVSA-N 2 2 283.379 2.606 40 0 CFABLP C[N@H+]1C[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H]([NH3+])C1 ZINC000217662740 277195290 /nfs/dbraw/zinc/19/52/90/277195290.db2.gz JIEQVHZTOMPODJ-ZWKOTPCHSA-N 2 2 282.387 2.622 40 0 CFABLP C[N@@H+]1C[C@@H](c2ccc(OCc3ccccc3)cc2)[C@H]([NH3+])C1 ZINC000217662740 277195292 /nfs/dbraw/zinc/19/52/92/277195292.db2.gz JIEQVHZTOMPODJ-ZWKOTPCHSA-N 2 2 282.387 2.622 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053730 185074867 /nfs/dbraw/zinc/07/48/67/185074867.db2.gz ZIDDQGPVLYOTBE-IAGOWNOFSA-N 2 2 297.402 2.547 40 0 CFABLP c1ccc2[nH+]c(CCC[NH2+]Cc3cccnc3)[nH]c2c1 ZINC000062718641 346690725 /nfs/dbraw/zinc/69/07/25/346690725.db2.gz KPVDMFXYYLLJPK-UHFFFAOYSA-N 2 2 266.348 2.680 40 0 CFABLP CCOc1ccc(C(=[NH2+])N2CC[NH+](C)CC2)c2ccccc12 ZINC000001608873 371686905 /nfs/dbraw/zinc/68/69/05/371686905.db2.gz YLHVWNUOLALUSD-UHFFFAOYSA-N 2 2 297.402 2.811 40 0 CFABLP CC(C)[N@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160531 372825311 /nfs/dbraw/zinc/82/53/11/372825311.db2.gz AWYFAIMFGAKFDG-UHFFFAOYSA-N 2 2 260.303 2.875 40 0 CFABLP CC(C)[N@@H+](CC[NH3+])Cc1cccc(C(F)(F)F)c1 ZINC000041160531 372825316 /nfs/dbraw/zinc/82/53/16/372825316.db2.gz AWYFAIMFGAKFDG-UHFFFAOYSA-N 2 2 260.303 2.875 40 0 CFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096208682 375477938 /nfs/dbraw/zinc/47/79/38/375477938.db2.gz DARBQZLZHVZTPA-HNNXBMFYSA-N 2 2 292.423 2.663 40 0 CFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@H+]1C ZINC000096208682 375477943 /nfs/dbraw/zinc/47/79/43/375477943.db2.gz DARBQZLZHVZTPA-HNNXBMFYSA-N 2 2 292.423 2.663 40 0 CFABLP CC[C@H](C)n1nccc1C[NH2+]CCC[NH+](CC)CC ZINC000256052379 190004098 /nfs/dbraw/zinc/00/40/98/190004098.db2.gz NCFBQORRRQRYSM-AWEZNQCLSA-N 2 2 266.433 2.676 40 0 CFABLP Cc1[nH+]cc(-c2cc(CC3CC[NH+](C)CC3)ccn2)n1C ZINC000257289704 190028027 /nfs/dbraw/zinc/02/80/27/190028027.db2.gz PZVVSHARDHVHRL-UHFFFAOYSA-N 2 2 284.407 2.675 40 0 CFABLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257307622 190030930 /nfs/dbraw/zinc/03/09/30/190030930.db2.gz SZNJFYILPFGHHE-AWEZNQCLSA-N 2 2 271.364 2.716 40 0 CFABLP COc1ccc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1 ZINC000257307622 190030931 /nfs/dbraw/zinc/03/09/31/190030931.db2.gz SZNJFYILPFGHHE-AWEZNQCLSA-N 2 2 271.364 2.716 40 0 CFABLP c1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)nc1 ZINC000096049301 185072369 /nfs/dbraw/zinc/07/23/69/185072369.db2.gz BDNDKUGMEDBUDB-UHFFFAOYSA-N 2 2 285.435 2.922 40 0 CFABLP c1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)nc1 ZINC000096049301 185072370 /nfs/dbraw/zinc/07/23/70/185072370.db2.gz BDNDKUGMEDBUDB-UHFFFAOYSA-N 2 2 285.435 2.922 40 0 CFABLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000096046930 185073469 /nfs/dbraw/zinc/07/34/69/185073469.db2.gz YYUXSBZMXRALSG-QGZVFWFLSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[NH+]2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)c1 ZINC000096046930 185073470 /nfs/dbraw/zinc/07/34/70/185073470.db2.gz YYUXSBZMXRALSG-QGZVFWFLSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[N@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000096046930 185073472 /nfs/dbraw/zinc/07/34/72/185073472.db2.gz YYUXSBZMXRALSG-QGZVFWFLSA-N 2 2 274.408 2.978 40 0 CFABLP c1coc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CC2)C3)c1 ZINC000096046930 185073474 /nfs/dbraw/zinc/07/34/74/185073474.db2.gz YYUXSBZMXRALSG-QGZVFWFLSA-N 2 2 274.408 2.978 40 0 CFABLP Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074788 /nfs/dbraw/zinc/07/47/88/185074788.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074790 /nfs/dbraw/zinc/07/47/90/185074790.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074791 /nfs/dbraw/zinc/07/47/91/185074791.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 2 2 297.402 2.547 40 0 CFABLP Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074793 /nfs/dbraw/zinc/07/47/93/185074793.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 2 2 297.402 2.547 40 0 CFABLP C(C[NH+]1CCOCC1)C[NH+]1CCC2(CCCCC2)CC1 ZINC000001603884 371686406 /nfs/dbraw/zinc/68/64/06/371686406.db2.gz XCSBDQYNYZYPSX-UHFFFAOYSA-N 2 2 280.456 2.755 40 0 CFABLP CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@H]1[NH2+]CC[NH+](C)C ZINC000101848670 375656656 /nfs/dbraw/zinc/65/66/56/375656656.db2.gz XFNDXCULCBDGRM-OWCLPIDISA-N 2 2 298.471 2.676 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccccc3F)C2)[nH+]1 ZINC000257225059 190015774 /nfs/dbraw/zinc/01/57/74/190015774.db2.gz FEQBNLSJSLWKMQ-CYBMUJFWSA-N 2 2 259.328 2.847 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)[nH+]1 ZINC000257225059 190015775 /nfs/dbraw/zinc/01/57/75/190015775.db2.gz FEQBNLSJSLWKMQ-CYBMUJFWSA-N 2 2 259.328 2.847 40 0 CFABLP COc1ccc(Cl)c2c(NCCC[NH3+])cc(C)[nH+]c12 ZINC000222691893 382803162 /nfs/dbraw/zinc/80/31/62/382803162.db2.gz QLIFAMZPGAKJAK-UHFFFAOYSA-N 2 2 279.771 2.966 40 0 CFABLP [NH3+]CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000076667942 177052127 /nfs/dbraw/zinc/05/21/27/177052127.db2.gz OOAUDUJVHFLBBU-UHFFFAOYSA-N 2 2 259.180 2.917 40 0 CFABLP [NH3+]CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000076667942 177052128 /nfs/dbraw/zinc/05/21/28/177052128.db2.gz OOAUDUJVHFLBBU-UHFFFAOYSA-N 2 2 259.180 2.917 40 0 CFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000072355534 282200127 /nfs/dbraw/zinc/20/01/27/282200127.db2.gz AWKHXCBVFOZQIX-AWEZNQCLSA-N 2 2 271.368 2.516 40 0 CFABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355534 282200128 /nfs/dbraw/zinc/20/01/28/282200128.db2.gz AWKHXCBVFOZQIX-AWEZNQCLSA-N 2 2 271.368 2.516 40 0 CFABLP COc1ccc2ccccc2c1[C@@H](C[NH3+])[NH+]1CCCC1 ZINC000032048749 372425442 /nfs/dbraw/zinc/42/54/42/372425442.db2.gz WLRYWRAJTKGBBT-OAHLLOKOSA-N 2 2 270.376 2.944 40 0 CFABLP CCOc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092743 372556067 /nfs/dbraw/zinc/55/60/67/372556067.db2.gz YLHITQLEVOFUJB-XJKSGUPXSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@H](C)C2)cc1 ZINC000036092743 372556072 /nfs/dbraw/zinc/55/60/72/372556072.db2.gz YLHITQLEVOFUJB-XJKSGUPXSA-N 2 2 262.397 2.817 40 0 CFABLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539851 372774605 /nfs/dbraw/zinc/77/46/05/372774605.db2.gz NXZNYVSRFFRKCX-LBPRGKRZSA-N 2 2 258.287 2.629 40 0 CFABLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539851 372774613 /nfs/dbraw/zinc/77/46/13/372774613.db2.gz NXZNYVSRFFRKCX-LBPRGKRZSA-N 2 2 258.287 2.629 40 0 CFABLP CC[NH+](CC)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000038860414 372775697 /nfs/dbraw/zinc/77/56/97/372775697.db2.gz PXWLPGDCHNEVJU-GFCCVEGCSA-N 2 2 271.202 2.791 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000257229984 190016438 /nfs/dbraw/zinc/01/64/38/190016438.db2.gz GAFRTRGPSAPAMJ-GFCCVEGCSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000257229984 190016439 /nfs/dbraw/zinc/01/64/39/190016439.db2.gz GAFRTRGPSAPAMJ-GFCCVEGCSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257265686 190023491 /nfs/dbraw/zinc/02/34/91/190023491.db2.gz LZWBXKOHMCPWRU-MRXNPFEDSA-N 2 2 295.386 2.983 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CC3=Cc4ccccc4OC3)C2)[nH+]1 ZINC000257265686 190023492 /nfs/dbraw/zinc/02/34/92/190023492.db2.gz LZWBXKOHMCPWRU-MRXNPFEDSA-N 2 2 295.386 2.983 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257267897 190023568 /nfs/dbraw/zinc/02/35/68/190023568.db2.gz MJICTHDBAWBGCP-HNNXBMFYSA-N 2 2 299.422 2.545 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cnn(C)c3C)C2)cc[nH+]1 ZINC000257267897 190023569 /nfs/dbraw/zinc/02/35/69/190023569.db2.gz MJICTHDBAWBGCP-HNNXBMFYSA-N 2 2 299.422 2.545 40 0 CFABLP Cc1ccc[nH+]c1Nc1ccc(C2CC[NH2+]CC2)nc1 ZINC000257282767 190026426 /nfs/dbraw/zinc/02/64/26/190026426.db2.gz OVEZSWIQTZXMON-UHFFFAOYSA-N 2 2 268.364 2.996 40 0 CFABLP Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257331597 190035413 /nfs/dbraw/zinc/03/54/13/190035413.db2.gz XTNQDOYKNBABIS-OAHLLOKOSA-N 2 2 299.422 2.559 40 0 CFABLP Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257331597 190035414 /nfs/dbraw/zinc/03/54/14/190035414.db2.gz XTNQDOYKNBABIS-OAHLLOKOSA-N 2 2 299.422 2.559 40 0 CFABLP Cc1c[nH]c([C@H]2CCCN(c3cccc(C)[nH+]3)C2)[nH+]1 ZINC000257332917 383495310 /nfs/dbraw/zinc/49/53/10/383495310.db2.gz XZIGDLBUPFEJEC-ZDUSSCGKSA-N 2 2 256.353 2.806 40 0 CFABLP CCOc1ccccc1[C@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000038827594 286582323 /nfs/dbraw/zinc/58/23/23/286582323.db2.gz MUEVFWSYYQFHSU-HNNXBMFYSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccc([C@@H](C[NH3+])[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172590 171368824 /nfs/dbraw/zinc/36/88/24/171368824.db2.gz YLHITQLEVOFUJB-CZUORRHYSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccc([C@@H](C[NH3+])[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022172590 171368826 /nfs/dbraw/zinc/36/88/26/171368826.db2.gz YLHITQLEVOFUJB-CZUORRHYSA-N 2 2 262.397 2.817 40 0 CFABLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000044471104 175177606 /nfs/dbraw/zinc/17/76/06/175177606.db2.gz MCWUWORQEFEHSJ-SECBINFHSA-N 2 2 289.242 2.681 40 0 CFABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000044471104 175177608 /nfs/dbraw/zinc/17/76/08/175177608.db2.gz MCWUWORQEFEHSJ-SECBINFHSA-N 2 2 289.242 2.681 40 0 CFABLP O=C(c1ccccc1)C(C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000001576482 280211967 /nfs/dbraw/zinc/21/19/67/280211967.db2.gz PFDGTUINFCULIZ-UHFFFAOYSA-N 2 2 286.419 2.677 40 0 CFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2)nc1 ZINC000096046966 185073298 /nfs/dbraw/zinc/07/32/98/185073298.db2.gz NXGNKVGMDDHSCF-GOSISDBHSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CC4CC4)C3)C2)nc1 ZINC000096046966 185073301 /nfs/dbraw/zinc/07/33/01/185073301.db2.gz NXGNKVGMDDHSCF-GOSISDBHSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)nc1 ZINC000096046966 185073303 /nfs/dbraw/zinc/07/33/03/185073303.db2.gz NXGNKVGMDDHSCF-GOSISDBHSA-N 2 2 285.435 2.780 40 0 CFABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CC4CC4)C3)C2)nc1 ZINC000096046966 185073305 /nfs/dbraw/zinc/07/33/05/185073305.db2.gz NXGNKVGMDDHSCF-GOSISDBHSA-N 2 2 285.435 2.780 40 0 CFABLP c1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053726 185074175 /nfs/dbraw/zinc/07/41/75/185074175.db2.gz ZKJRVYIHLDIHNC-CALCHBBNSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053726 185074176 /nfs/dbraw/zinc/07/41/76/185074176.db2.gz ZKJRVYIHLDIHNC-CALCHBBNSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053726 185074177 /nfs/dbraw/zinc/07/41/77/185074177.db2.gz ZKJRVYIHLDIHNC-CALCHBBNSA-N 2 2 299.443 2.707 40 0 CFABLP c1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3C2)cs1 ZINC000096053726 185074178 /nfs/dbraw/zinc/07/41/78/185074178.db2.gz ZKJRVYIHLDIHNC-CALCHBBNSA-N 2 2 299.443 2.707 40 0 CFABLP C[NH+](Cc1ccccc1)CC(O)C[N@@H+](C)Cc1ccccc1 ZINC000001729589 371703488 /nfs/dbraw/zinc/70/34/88/371703488.db2.gz XKIQVOMLRXPKJW-UHFFFAOYSA-N 2 2 298.430 2.611 40 0 CFABLP C[NH+](Cc1ccccc1)CC(O)C[N@H+](C)Cc1ccccc1 ZINC000001729589 371703497 /nfs/dbraw/zinc/70/34/97/371703497.db2.gz XKIQVOMLRXPKJW-UHFFFAOYSA-N 2 2 298.430 2.611 40 0 CFABLP CCc1[nH+]ccn1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000257229304 190015926 /nfs/dbraw/zinc/01/59/26/190015926.db2.gz FXOSRZPCBZWDLD-CQSZACIVSA-N 2 2 270.380 2.987 40 0 CFABLP CCc1[nH+]ccn1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000257229304 190015927 /nfs/dbraw/zinc/01/59/27/190015927.db2.gz FXOSRZPCBZWDLD-CQSZACIVSA-N 2 2 270.380 2.987 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3cc(C)on3)C2)cc[nH+]1 ZINC000257280212 190025308 /nfs/dbraw/zinc/02/53/08/190025308.db2.gz OJYTVVZZFARRBK-AWEZNQCLSA-N 2 2 286.379 2.799 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cc(C)on3)C2)cc[nH+]1 ZINC000257280212 190025309 /nfs/dbraw/zinc/02/53/09/190025309.db2.gz OJYTVVZZFARRBK-AWEZNQCLSA-N 2 2 286.379 2.799 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257344924 190037457 /nfs/dbraw/zinc/03/74/57/190037457.db2.gz ZZGKFXQFVUJXHT-ZDUSSCGKSA-N 2 2 289.354 2.726 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257344924 190037458 /nfs/dbraw/zinc/03/74/58/190037458.db2.gz ZZGKFXQFVUJXHT-ZDUSSCGKSA-N 2 2 289.354 2.726 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3[nH]cnc3C)C2)cc[nH+]1 ZINC000257320759 190033254 /nfs/dbraw/zinc/03/32/54/190033254.db2.gz VYMFUCFZRJIUFB-AWEZNQCLSA-N 2 2 285.395 2.534 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3[nH]cnc3C)C2)cc[nH+]1 ZINC000257320759 190033255 /nfs/dbraw/zinc/03/32/55/190033255.db2.gz VYMFUCFZRJIUFB-AWEZNQCLSA-N 2 2 285.395 2.534 40 0 CFABLP c1cn(Cc2ccccn2)c([C@@H]2C[NH2+]Cc3ccccc32)[nH+]1 ZINC000306137762 382452480 /nfs/dbraw/zinc/45/24/80/382452480.db2.gz RFFSXBVQGBZRJP-QGZVFWFLSA-N 2 2 290.370 2.562 40 0 CFABLP C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000217662819 382787298 /nfs/dbraw/zinc/78/72/98/382787298.db2.gz JIEQVHZTOMPODJ-ROUUACIJSA-N 2 2 282.387 2.622 40 0 CFABLP C[N@H+]1C[C@H]([NH3+])[C@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000217662819 382787299 /nfs/dbraw/zinc/78/72/99/382787299.db2.gz JIEQVHZTOMPODJ-ROUUACIJSA-N 2 2 282.387 2.622 40 0 CFABLP c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355622 176374753 /nfs/dbraw/zinc/37/47/53/176374753.db2.gz LCQSYFDOJUZUNW-INIZCTEOSA-N 2 2 298.390 2.583 40 0 CFABLP c1cn(-c2cccc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)c[nH+]1 ZINC000072355622 176374754 /nfs/dbraw/zinc/37/47/54/176374754.db2.gz LCQSYFDOJUZUNW-INIZCTEOSA-N 2 2 298.390 2.583 40 0 CFABLP c1cc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccn4)C[C@H]3C2)cs1 ZINC000096053786 185073760 /nfs/dbraw/zinc/07/37/60/185073760.db2.gz LQLMHLPVDPXAMO-HZPDHXFCSA-N 2 2 299.443 2.707 40 0 CFABLP c1[nH]c(C[NH+]2CCC3(C[C@@H](c4ccccc4)CO3)CC2)c[nH+]1 ZINC000096089760 185095253 /nfs/dbraw/zinc/09/52/53/185095253.db2.gz NVITVIHPGSVTCW-MRXNPFEDSA-N 2 2 297.402 2.948 40 0 CFABLP Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c[nH+]1 ZINC000585181339 348738220 /nfs/dbraw/zinc/73/82/20/348738220.db2.gz OQYONURKQVOSQI-INIZCTEOSA-N 2 2 284.407 2.578 40 0 CFABLP [NH3+]C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000020521657 283415770 /nfs/dbraw/zinc/41/57/70/283415770.db2.gz OSRTXGKCWCMGGR-UHFFFAOYSA-N 2 2 258.287 2.629 40 0 CFABLP c1cn(CCC[N@@H+](Cc2c[nH]cn2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991195 372057067 /nfs/dbraw/zinc/05/70/67/372057067.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@H+](Cc2c[nH]cn2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991195 372057071 /nfs/dbraw/zinc/05/70/71/372057071.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@@H+](Cc2cnc[nH]2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991195 372057073 /nfs/dbraw/zinc/05/70/73/372057073.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@H+](Cc2cnc[nH]2)C[C@H]2CC=CCC2)c[nH+]1 ZINC000013991195 372057076 /nfs/dbraw/zinc/05/70/76/372057076.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 2 2 299.422 2.855 40 0 CFABLP Cc1nc2ccccn2c1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000019714580 372180405 /nfs/dbraw/zinc/18/04/05/372180405.db2.gz PQOJDAJJKWSICK-UHFFFAOYSA-N 2 2 298.434 2.703 40 0 CFABLP Cc1[nH+]c2ccccn2c1CN1CCC([NH+]2CCCC2)CC1 ZINC000019714580 372180409 /nfs/dbraw/zinc/18/04/09/372180409.db2.gz PQOJDAJJKWSICK-UHFFFAOYSA-N 2 2 298.434 2.703 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000019843440 372198360 /nfs/dbraw/zinc/19/83/60/372198360.db2.gz RSEZOEOSDRNJIW-JTQLQIEISA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000019843440 372198369 /nfs/dbraw/zinc/19/83/69/372198369.db2.gz RSEZOEOSDRNJIW-JTQLQIEISA-N 2 2 256.752 2.650 40 0 CFABLP CC(C)[N@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000032118446 372431463 /nfs/dbraw/zinc/43/14/63/372431463.db2.gz UWSGPDSZYITUAK-UHFFFAOYSA-N 2 2 271.202 2.618 40 0 CFABLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(Br)cc1 ZINC000032118446 372431467 /nfs/dbraw/zinc/43/14/67/372431467.db2.gz UWSGPDSZYITUAK-UHFFFAOYSA-N 2 2 271.202 2.618 40 0 CFABLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(F)c1 ZINC000257293283 190028407 /nfs/dbraw/zinc/02/84/07/190028407.db2.gz QOWOLKIBNJYCPC-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP COc1ccc(C[N@H+]2CC[C@H](c3[nH]cc(C)[nH+]3)C2)c(F)c1 ZINC000257293283 190028408 /nfs/dbraw/zinc/02/84/08/190028408.db2.gz QOWOLKIBNJYCPC-ZDUSSCGKSA-N 2 2 289.354 2.855 40 0 CFABLP CC(C)n1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257300055 190029194 /nfs/dbraw/zinc/02/91/94/190029194.db2.gz RSSHOIAWCDJONI-INIZCTEOSA-N 2 2 284.407 2.611 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257340329 190036923 /nfs/dbraw/zinc/03/69/23/190036923.db2.gz ZFNQVHQTFVJOQD-ZDUSSCGKSA-N 2 2 290.436 2.873 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257340329 190036924 /nfs/dbraw/zinc/03/69/24/190036924.db2.gz ZFNQVHQTFVJOQD-ZDUSSCGKSA-N 2 2 290.436 2.873 40 0 CFABLP COc1ccc(Cl)c2c(NCC[NH3+])cc(C)[nH+]c12 ZINC000222691805 382803231 /nfs/dbraw/zinc/80/32/31/382803231.db2.gz DPHTYBYXGSMTKL-UHFFFAOYSA-N 2 2 265.744 2.576 40 0 CFABLP C[NH+](C)[C@@H](C[NH3+])c1ccc(OCc2ccccc2)cc1 ZINC000038809112 174155954 /nfs/dbraw/zinc/15/59/54/174155954.db2.gz YIVRIGOWKLXVHX-KRWDZBQOSA-N 2 2 270.376 2.827 40 0 CFABLP c1cn(-c2nccnc2[C@H]2CCC[N@@H+](C3CCCC3)C2)c[nH+]1 ZINC000072350472 176373925 /nfs/dbraw/zinc/37/39/25/176373925.db2.gz GZECJIYXSBKEFK-AWEZNQCLSA-N 2 2 297.406 2.784 40 0 CFABLP c1cn(-c2nccnc2[C@H]2CCC[N@H+](C3CCCC3)C2)c[nH+]1 ZINC000072350472 176373926 /nfs/dbraw/zinc/37/39/26/176373926.db2.gz GZECJIYXSBKEFK-AWEZNQCLSA-N 2 2 297.406 2.784 40 0 CFABLP c1ccc(N[C@@H]2COC3(C2)CC[NH+](CC2CC2)CC3)[nH+]c1 ZINC000096074255 185087914 /nfs/dbraw/zinc/08/79/14/185087914.db2.gz YTYVLAMSFQEHAA-HNNXBMFYSA-N 2 2 287.407 2.527 40 0 CFABLP Cn1c2ccccc2[nH+]c1C[C@@H](CC[NH3+])C(F)(F)F ZINC000382141734 348528696 /nfs/dbraw/zinc/52/86/96/348528696.db2.gz CVLXMRYTWTYCCG-SECBINFHSA-N 2 2 271.286 2.643 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccccc3F)C2)[nH+]1 ZINC000257225060 190015142 /nfs/dbraw/zinc/01/51/42/190015142.db2.gz FEQBNLSJSLWKMQ-ZDUSSCGKSA-N 2 2 259.328 2.847 40 0 CFABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccccc3F)C2)[nH+]1 ZINC000257225060 190015143 /nfs/dbraw/zinc/01/51/43/190015143.db2.gz FEQBNLSJSLWKMQ-ZDUSSCGKSA-N 2 2 259.328 2.847 40 0 CFABLP CNc1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000257272184 190023626 /nfs/dbraw/zinc/02/36/26/190023626.db2.gz NBIVUYDFPQCYJW-INIZCTEOSA-N 2 2 282.391 2.898 40 0 CFABLP CNc1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc[nH+]1 ZINC000257272184 190023627 /nfs/dbraw/zinc/02/36/27/190023627.db2.gz NBIVUYDFPQCYJW-INIZCTEOSA-N 2 2 282.391 2.898 40 0 CFABLP COc1cc([NH+]2CCC3(CC[NH+](C)CC3)CC2)ccc1N ZINC000306145870 382452635 /nfs/dbraw/zinc/45/26/35/382452635.db2.gz UHRVNTWMSOLZCG-UHFFFAOYSA-N 2 2 289.423 2.590 40 0 CFABLP C[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606939 382818981 /nfs/dbraw/zinc/81/89/81/382818981.db2.gz JIEQVHZTOMPODJ-MSOLQXFVSA-N 2 2 282.387 2.622 40 0 CFABLP C[N@H+]1C[C@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606939 382818983 /nfs/dbraw/zinc/81/89/83/382818983.db2.gz JIEQVHZTOMPODJ-MSOLQXFVSA-N 2 2 282.387 2.622 40 0 CFABLP c1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)nc1 ZINC000062718669 346690316 /nfs/dbraw/zinc/69/03/16/346690316.db2.gz DSTYNUQAHDQMOV-UHFFFAOYSA-N 2 2 266.348 2.680 40 0 CFABLP [NH3+]CC[C@@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000385328226 348533677 /nfs/dbraw/zinc/53/36/77/348533677.db2.gz OLRDQICFSDMLBJ-QMMMGPOBSA-N 2 2 257.259 2.633 40 0 CFABLP Cc1[nH]c2ccc(NC(=O)[C@@H](C)Cn3cc[nH+]c3C)cc2[nH+]1 ZINC000019576735 372176139 /nfs/dbraw/zinc/17/61/39/372176139.db2.gz JGLLDYJNBHWLQV-JTQLQIEISA-N 2 2 297.362 2.651 40 0 CFABLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000019843441 372197544 /nfs/dbraw/zinc/19/75/44/372197544.db2.gz RSEZOEOSDRNJIW-SNVBAGLBSA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000019843441 372197548 /nfs/dbraw/zinc/19/75/48/372197548.db2.gz RSEZOEOSDRNJIW-SNVBAGLBSA-N 2 2 256.752 2.650 40 0 CFABLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccccc1 ZINC000022028354 372244837 /nfs/dbraw/zinc/24/48/37/372244837.db2.gz CLSTZLUWCPPWLH-QGZVFWFLSA-N 2 2 252.361 2.572 40 0 CFABLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccccc1 ZINC000022028354 372244840 /nfs/dbraw/zinc/24/48/40/372244840.db2.gz CLSTZLUWCPPWLH-QGZVFWFLSA-N 2 2 252.361 2.572 40 0 CFABLP C[NH+](C)Cc1cncc2c1CC[N@H+](Cc1ccsc1)C2 ZINC000096189446 375476049 /nfs/dbraw/zinc/47/60/49/375476049.db2.gz DSIBYDFSBVGYEB-UHFFFAOYSA-N 2 2 287.432 2.763 40 0 CFABLP C[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000096189446 375476057 /nfs/dbraw/zinc/47/60/57/375476057.db2.gz DSIBYDFSBVGYEB-UHFFFAOYSA-N 2 2 287.432 2.763 40 0 CFABLP COc1ccccc1C[N@@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257232415 190017088 /nfs/dbraw/zinc/01/70/88/190017088.db2.gz GKTRQMKACMVLAW-CQSZACIVSA-N 2 2 271.364 2.716 40 0 CFABLP COc1ccccc1C[N@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1 ZINC000257232415 190017089 /nfs/dbraw/zinc/01/70/89/190017089.db2.gz GKTRQMKACMVLAW-CQSZACIVSA-N 2 2 271.364 2.716 40 0 CFABLP CCn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257238786 190017466 /nfs/dbraw/zinc/01/74/66/190017466.db2.gz HMNGQUMLNNJYFP-AWEZNQCLSA-N 2 2 287.411 2.623 40 0 CFABLP CCn1cc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257238786 190017467 /nfs/dbraw/zinc/01/74/67/190017467.db2.gz HMNGQUMLNNJYFP-AWEZNQCLSA-N 2 2 287.411 2.623 40 0 CFABLP Cc1cc(N)cc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)[nH+]1 ZINC000257264620 190022907 /nfs/dbraw/zinc/02/29/07/190022907.db2.gz LVHUBSASVHVACN-HNNXBMFYSA-N 2 2 289.404 2.607 40 0 CFABLP Cc1cc(N)cc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)[nH+]1 ZINC000257264620 190022908 /nfs/dbraw/zinc/02/29/08/190022908.db2.gz LVHUBSASVHVACN-HNNXBMFYSA-N 2 2 289.404 2.607 40 0 CFABLP Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCCC[N@@H+]3C)n2)n1C ZINC000257261470 190022232 /nfs/dbraw/zinc/02/22/32/190022232.db2.gz LHLIWNXFNZJXGR-CQSZACIVSA-N 2 2 285.395 2.651 40 0 CFABLP Cc1[nH+]cc(-c2cc(C)nc([C@H]3CCCC[N@H+]3C)n2)n1C ZINC000257261470 190022233 /nfs/dbraw/zinc/02/22/33/190022233.db2.gz LHLIWNXFNZJXGR-CQSZACIVSA-N 2 2 285.395 2.651 40 0 CFABLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(F)c1 ZINC000257293282 190028356 /nfs/dbraw/zinc/02/83/56/190028356.db2.gz QOWOLKIBNJYCPC-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(F)c1 ZINC000257293282 190028357 /nfs/dbraw/zinc/02/83/57/190028357.db2.gz QOWOLKIBNJYCPC-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccncc3)C2)cc[nH+]1 ZINC000257336230 190036219 /nfs/dbraw/zinc/03/62/19/190036219.db2.gz YNPLMHUMYMLXTK-KRWDZBQOSA-N 2 2 296.418 2.922 40 0 CFABLP CN(C)c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc[nH+]1 ZINC000257336230 190036220 /nfs/dbraw/zinc/03/62/20/190036220.db2.gz YNPLMHUMYMLXTK-KRWDZBQOSA-N 2 2 296.418 2.922 40 0 CFABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[NH2+]2)n1 ZINC000257341078 190037215 /nfs/dbraw/zinc/03/72/15/190037215.db2.gz ZITMJXLTICPCOI-LBPRGKRZSA-N 2 2 256.353 2.815 40 0 CFABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[NH2+]2)n1 ZINC000257341077 190037397 /nfs/dbraw/zinc/03/73/97/190037397.db2.gz ZITMJXLTICPCOI-GFCCVEGCSA-N 2 2 256.353 2.815 40 0 CFABLP CCOc1cccc2c(NCCC[NH2+]C)cc[nH+]c12 ZINC000222681412 382803352 /nfs/dbraw/zinc/80/33/52/382803352.db2.gz AGSOFRIYRAAPGJ-UHFFFAOYSA-N 2 2 259.353 2.655 40 0 CFABLP CCOc1ccccc1[C@H](C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000022211914 393487954 /nfs/dbraw/zinc/48/79/54/393487954.db2.gz BIRDXGURJZQORM-HIFRSBDPSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccccc1[C@H](C[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000022211914 393487958 /nfs/dbraw/zinc/48/79/58/393487958.db2.gz BIRDXGURJZQORM-HIFRSBDPSA-N 2 2 262.397 2.817 40 0 CFABLP CCOc1ccccc1[C@@H](C[NH3+])[NH+]1CCC(C)CC1 ZINC000038827593 393538792 /nfs/dbraw/zinc/53/87/92/393538792.db2.gz MUEVFWSYYQFHSU-OAHLLOKOSA-N 2 2 262.397 2.817 40 0 CFABLP c1[nH]c(C[NH+]2CCC3(C[C@H](c4ccccc4)CO3)CC2)c[nH+]1 ZINC000096089761 275076944 /nfs/dbraw/zinc/07/69/44/275076944.db2.gz NVITVIHPGSVTCW-INIZCTEOSA-N 2 2 297.402 2.948 40 0 CFABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc(-c2ccccc2)cc1 ZINC000017039558 372126131 /nfs/dbraw/zinc/12/61/31/372126131.db2.gz SENQYKYYGUQWBP-UHFFFAOYSA-N 2 2 293.374 2.539 40 0 CFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)[nH+]c1 ZINC000096209200 375477985 /nfs/dbraw/zinc/47/79/85/375477985.db2.gz HBISVXAWTFDWKW-NVXWUHKLSA-N 2 2 287.407 2.527 40 0 CFABLP c1ccc(N[C@@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)[nH+]c1 ZINC000096209200 375477987 /nfs/dbraw/zinc/47/79/87/375477987.db2.gz HBISVXAWTFDWKW-NVXWUHKLSA-N 2 2 287.407 2.527 40 0 CFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@@H+]1C ZINC000096207875 375478002 /nfs/dbraw/zinc/47/80/02/375478002.db2.gz VLXQNCBPJRWXHV-HNNXBMFYSA-N 2 2 294.464 2.823 40 0 CFABLP COC[C@@H]1CCC2(CC[NH+](Cc3ccsc3)CC2)[N@H+]1C ZINC000096207875 375478004 /nfs/dbraw/zinc/47/80/04/375478004.db2.gz VLXQNCBPJRWXHV-HNNXBMFYSA-N 2 2 294.464 2.823 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@@H+]2C2CCOCC2)cc[nH+]1 ZINC000257251278 190020390 /nfs/dbraw/zinc/02/03/90/190020390.db2.gz JQBYDFMKDVHZIJ-MRXNPFEDSA-N 2 2 274.408 2.966 40 0 CFABLP Cc1cc(CC[C@H]2CCC[N@H+]2C2CCOCC2)cc[nH+]1 ZINC000257251278 190020391 /nfs/dbraw/zinc/02/03/91/190020391.db2.gz JQBYDFMKDVHZIJ-MRXNPFEDSA-N 2 2 274.408 2.966 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3ccnn3C(C)C)C2)[nH+]1 ZINC000257315700 190032454 /nfs/dbraw/zinc/03/24/54/190032454.db2.gz VCLQDCNLQORPCV-AWEZNQCLSA-N 2 2 287.411 2.875 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccnn3C(C)C)C2)[nH+]1 ZINC000257315700 190032455 /nfs/dbraw/zinc/03/24/55/190032455.db2.gz VCLQDCNLQORPCV-AWEZNQCLSA-N 2 2 287.411 2.875 40 0 CFABLP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606908 382819009 /nfs/dbraw/zinc/81/90/09/382819009.db2.gz JIEQVHZTOMPODJ-QZTJIDSGSA-N 2 2 282.387 2.622 40 0 CFABLP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000225606908 382819012 /nfs/dbraw/zinc/81/90/12/382819012.db2.gz JIEQVHZTOMPODJ-QZTJIDSGSA-N 2 2 282.387 2.622 40 0 CFABLP C[NH+]1CCC(c2cc[nH+]c(NC[C@@]3(C)CCCO3)c2)CC1 ZINC000072365476 176380728 /nfs/dbraw/zinc/38/07/28/176380728.db2.gz GXIPZLADIWYBEU-QGZVFWFLSA-N 2 2 289.423 2.872 40 0 CFABLP Fc1cccc(C[NH+]2C[C@@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096053902 185076055 /nfs/dbraw/zinc/07/60/55/185076055.db2.gz OHHSYLQWTGNDPL-HOTGVXAUSA-N 2 2 274.383 2.599 40 0 CFABLP Cc1[nH]c2ccc(NC(=O)[C@H](C)Cn3cc[nH+]c3C)cc2[nH+]1 ZINC000019576737 372176568 /nfs/dbraw/zinc/17/65/68/372176568.db2.gz JGLLDYJNBHWLQV-SNVBAGLBSA-N 2 2 297.362 2.651 40 0 CFABLP Cc1cc(OCC[N@@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000041440102 372837621 /nfs/dbraw/zinc/83/76/21/372837621.db2.gz XXDJMLCACAVWJM-UHFFFAOYSA-N 2 2 282.815 2.631 40 0 CFABLP Cc1cc(OCC[N@H+]2CCC[NH2+]CC2)cc(C)c1Cl ZINC000041440102 372837629 /nfs/dbraw/zinc/83/76/29/372837629.db2.gz XXDJMLCACAVWJM-UHFFFAOYSA-N 2 2 282.815 2.631 40 0 CFABLP CC(C)[N@@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414697 374609229 /nfs/dbraw/zinc/60/92/29/374609229.db2.gz ZHQYSPMUPZYNDQ-UHFFFAOYSA-N 3 2 289.467 2.568 40 0 CFABLP CC(C)[N@H+](Cc1ccccc1)CC1CC[NH+](CC[NH3+])CC1 ZINC000079414697 374609238 /nfs/dbraw/zinc/60/92/38/374609238.db2.gz ZHQYSPMUPZYNDQ-UHFFFAOYSA-N 3 2 289.467 2.568 40 0 CFABLP CCc1[nH]c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)[nH+]1 ZINC000257216257 190013844 /nfs/dbraw/zinc/01/38/44/190013844.db2.gz CTSJOXXEHIYPNV-CYBMUJFWSA-N 2 2 287.411 2.692 40 0 CFABLP CCc1[nH]c(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(C)[nH+]1 ZINC000257216257 190013845 /nfs/dbraw/zinc/01/38/45/190013845.db2.gz CTSJOXXEHIYPNV-CYBMUJFWSA-N 2 2 287.411 2.692 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cncs3)C2)[nH+]1 ZINC000257324191 190034060 /nfs/dbraw/zinc/03/40/60/190034060.db2.gz WNQAADRPBBINQJ-GFCCVEGCSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cncs3)C2)[nH+]1 ZINC000257324191 190034061 /nfs/dbraw/zinc/03/40/61/190034061.db2.gz WNQAADRPBBINQJ-GFCCVEGCSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257344923 190037719 /nfs/dbraw/zinc/03/77/19/190037719.db2.gz ZZGKFXQFVUJXHT-CYBMUJFWSA-N 2 2 289.354 2.726 40 0 CFABLP Cc1c[nH]c([C@@H]2CC[N@@H+](CCOc3ccc(F)cc3)C2)[nH+]1 ZINC000257344923 190037720 /nfs/dbraw/zinc/03/77/20/190037720.db2.gz ZZGKFXQFVUJXHT-CYBMUJFWSA-N 2 2 289.354 2.726 40 0 CFABLP Cc1nc(C2CCN(c3cccc[nH+]3)CC2)cc2c[nH+]cn21 ZINC000257338334 383495464 /nfs/dbraw/zinc/49/54/64/383495464.db2.gz YWXYLASWOHLFDN-UHFFFAOYSA-N 2 2 293.374 2.817 40 0 CFABLP C[N@@H+]1CC[C@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510460 393835109 /nfs/dbraw/zinc/83/51/09/393835109.db2.gz SXLMTTGGODEZDB-AWEZNQCLSA-N 2 2 250.773 2.969 40 0 CFABLP C[N@H+]1CC[C@H]([NH2+]C2CC2)c2cc(Cl)ccc2C1 ZINC000096510460 393835113 /nfs/dbraw/zinc/83/51/13/393835113.db2.gz SXLMTTGGODEZDB-AWEZNQCLSA-N 2 2 250.773 2.969 40 0 CFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000072355535 176374943 /nfs/dbraw/zinc/37/49/43/176374943.db2.gz AWKHXCBVFOZQIX-CQSZACIVSA-N 2 2 271.368 2.516 40 0 CFABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000072355535 176374944 /nfs/dbraw/zinc/37/49/44/176374944.db2.gz AWKHXCBVFOZQIX-CQSZACIVSA-N 2 2 271.368 2.516 40 0 CFABLP Cc1cc(N(C)C)cc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)[nH+]1 ZINC000072380957 176387050 /nfs/dbraw/zinc/38/70/50/176387050.db2.gz FKQACOPJTZQANO-HNNXBMFYSA-N 2 2 285.395 2.516 40 0 CFABLP Fc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)cc1 ZINC000019712144 346242477 /nfs/dbraw/zinc/24/24/77/346242477.db2.gz SSKKIXBBWJVSAS-JKSUJKDBSA-N 2 2 262.372 2.932 40 0 CFABLP Fc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CCCCC[C@H]32)cc1 ZINC000019712144 346242479 /nfs/dbraw/zinc/24/24/79/346242479.db2.gz SSKKIXBBWJVSAS-JKSUJKDBSA-N 2 2 262.372 2.932 40 0 CFABLP Cc1nc[nH]c1C[N@H+](C)[C@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000585182303 348738140 /nfs/dbraw/zinc/73/81/40/348738140.db2.gz LIXJGTGJSVWLQZ-HNNXBMFYSA-N 2 2 299.422 2.522 40 0 CFABLP c1cn(CCC[N@@H+](Cc2c[nH]cn2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991198 372056025 /nfs/dbraw/zinc/05/60/25/372056025.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@H+](Cc2c[nH]cn2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991198 372056035 /nfs/dbraw/zinc/05/60/35/372056035.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@@H+](Cc2cnc[nH]2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991198 372056039 /nfs/dbraw/zinc/05/60/39/372056039.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 2 2 299.422 2.855 40 0 CFABLP c1cn(CCC[N@H+](Cc2cnc[nH]2)C[C@@H]2CC=CCC2)c[nH+]1 ZINC000013991198 372056046 /nfs/dbraw/zinc/05/60/46/372056046.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 2 2 299.422 2.855 40 0 CFABLP CC(C)c1[nH+]ccn1CCCn1c[nH+]cc1-c1cnn(C)c1 ZINC000019719486 372180312 /nfs/dbraw/zinc/18/03/12/372180312.db2.gz QTQNVKGOZZSYHK-UHFFFAOYSA-N 2 2 298.394 2.694 40 0 CFABLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000019843413 372197280 /nfs/dbraw/zinc/19/72/80/372197280.db2.gz IEKPCSPITOZRTG-SECBINFHSA-N 2 2 289.242 2.681 40 0 CFABLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000019843413 372197284 /nfs/dbraw/zinc/19/72/84/372197284.db2.gz IEKPCSPITOZRTG-SECBINFHSA-N 2 2 289.242 2.681 40 0 CFABLP c1cc2c(s1)CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC000043498772 372991845 /nfs/dbraw/zinc/99/18/45/372991845.db2.gz RCBFCAMDOCJTBL-ZDUSSCGKSA-N 2 2 250.411 2.638 40 0 CFABLP c1cc2c(s1)CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC000043498772 372991848 /nfs/dbraw/zinc/99/18/48/372991848.db2.gz RCBFCAMDOCJTBL-ZDUSSCGKSA-N 2 2 250.411 2.638 40 0 CFABLP CC[NH+](CC)CCC[N@@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000068602040 374034695 /nfs/dbraw/zinc/03/46/95/374034695.db2.gz DMMFQCFOZKJPIX-UHFFFAOYSA-N 2 2 290.407 2.505 40 0 CFABLP CC[NH+](CC)CCC[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000068602040 374034702 /nfs/dbraw/zinc/03/47/02/374034702.db2.gz DMMFQCFOZKJPIX-UHFFFAOYSA-N 2 2 290.407 2.505 40 0 CFABLP Clc1cccc(Cl)c1C[NH2+]C1CC[NH2+]CC1 ZINC000072203576 374235501 /nfs/dbraw/zinc/23/55/01/374235501.db2.gz CSZUUZAHVYGBQY-UHFFFAOYSA-N 2 2 259.180 2.835 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257230713 190015837 /nfs/dbraw/zinc/01/58/37/190015837.db2.gz GDOZEXPYSROIGN-LBPRGKRZSA-N 2 2 276.409 2.863 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](Cc3csc(C)n3)C2)[nH+]1 ZINC000257230713 190015838 /nfs/dbraw/zinc/01/58/38/190015838.db2.gz GDOZEXPYSROIGN-LBPRGKRZSA-N 2 2 276.409 2.863 40 0 CFABLP Cc1cc(N)cc([C@H]2C[N@H+](Cc3ccsc3)CCO2)[nH+]1 ZINC000257264621 190022846 /nfs/dbraw/zinc/02/28/46/190022846.db2.gz LVHUBSASVHVACN-OAHLLOKOSA-N 2 2 289.404 2.607 40 0 CFABLP Cc1cc(N)cc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)[nH+]1 ZINC000257264621 190022847 /nfs/dbraw/zinc/02/28/47/190022847.db2.gz LVHUBSASVHVACN-OAHLLOKOSA-N 2 2 289.404 2.607 40 0 CFABLP Cc1cn(-c2ccnc([C@H]3CCC[N@@H+](C)C3)c2)c(C)[nH+]1 ZINC000257264944 190023284 /nfs/dbraw/zinc/02/32/84/190023284.db2.gz LWPYRBNOOSZBOH-AWEZNQCLSA-N 2 2 270.380 2.693 40 0 CFABLP Cc1cn(-c2ccnc([C@H]3CCC[N@H+](C)C3)c2)c(C)[nH+]1 ZINC000257264944 190023285 /nfs/dbraw/zinc/02/32/85/190023285.db2.gz LWPYRBNOOSZBOH-AWEZNQCLSA-N 2 2 270.380 2.693 40 0 CFABLP C[NH+]1CCC([N@@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257269123 190024267 /nfs/dbraw/zinc/02/42/67/190024267.db2.gz MORBFJPBLUNIBE-INIZCTEOSA-N 2 2 273.424 2.573 40 0 CFABLP C[NH+]1CCC([N@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257269123 190024268 /nfs/dbraw/zinc/02/42/68/190024268.db2.gz MORBFJPBLUNIBE-INIZCTEOSA-N 2 2 273.424 2.573 40 0 CFABLP C[NH+]1CCC(c2cc[nH+]c(NC[C@]3(C)CCCO3)c2)CC1 ZINC000072365477 176380714 /nfs/dbraw/zinc/38/07/14/176380714.db2.gz GXIPZLADIWYBEU-KRWDZBQOSA-N 2 2 289.423 2.872 40 0 CFABLP c1ccc(CNc2cc([C@@H]3CCC[NH2+]C3)cc[nH+]2)nc1 ZINC000072386481 176391845 /nfs/dbraw/zinc/39/18/45/176391845.db2.gz UTCOZCRXDLUPES-CQSZACIVSA-N 2 2 268.364 2.556 40 0 CFABLP Cc1nc[nH]c1C[N@H+](C)[C@@H]1CCCN(c2cccc(C)[nH+]2)C1 ZINC000585182304 348737975 /nfs/dbraw/zinc/73/79/75/348737975.db2.gz LIXJGTGJSVWLQZ-OAHLLOKOSA-N 2 2 299.422 2.522 40 0 CFABLP c1ccc2c(c1)[nH+]c(C1CC1)n2C[C@H]1CCC[NH2+]C1 ZINC000057865716 373617028 /nfs/dbraw/zinc/61/70/28/373617028.db2.gz KGNJGTZIVOKTMW-LBPRGKRZSA-N 2 2 255.365 2.913 40 0 CFABLP CCc1[nH]c(C[N@@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(C)[nH+]1 ZINC000257216258 190014261 /nfs/dbraw/zinc/01/42/61/190014261.db2.gz CTSJOXXEHIYPNV-ZDUSSCGKSA-N 2 2 287.411 2.692 40 0 CFABLP CCc1[nH]c(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(C)[nH+]1 ZINC000257216258 190014262 /nfs/dbraw/zinc/01/42/62/190014262.db2.gz CTSJOXXEHIYPNV-ZDUSSCGKSA-N 2 2 287.411 2.692 40 0 CFABLP CCn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257238787 190017569 /nfs/dbraw/zinc/01/75/69/190017569.db2.gz HMNGQUMLNNJYFP-CQSZACIVSA-N 2 2 287.411 2.623 40 0 CFABLP CCn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c(C)n1 ZINC000257238787 190017570 /nfs/dbraw/zinc/01/75/70/190017570.db2.gz HMNGQUMLNNJYFP-CQSZACIVSA-N 2 2 287.411 2.623 40 0 CFABLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257240768 190018663 /nfs/dbraw/zinc/01/86/63/190018663.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@H+]2CC[C@@H](c3[nH]cc(C)[nH+]3)C2)ccc1F ZINC000257240768 190018664 /nfs/dbraw/zinc/01/86/64/190018664.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@@H+]2CC[C@@H](c3[nH]c(C)c[nH+]3)C2)ccc1F ZINC000257240768 190018665 /nfs/dbraw/zinc/01/86/65/190018665.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP COc1cc(C[N@H+]2CC[C@@H](c3[nH]c(C)c[nH+]3)C2)ccc1F ZINC000257240768 190018666 /nfs/dbraw/zinc/01/86/66/190018666.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 2 2 289.354 2.855 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cc(C)on3)C2)cc[nH+]1 ZINC000257280213 190025291 /nfs/dbraw/zinc/02/52/91/190025291.db2.gz OJYTVVZZFARRBK-CQSZACIVSA-N 2 2 286.379 2.799 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cc(C)on3)C2)cc[nH+]1 ZINC000257280213 190025292 /nfs/dbraw/zinc/02/52/92/190025292.db2.gz OJYTVVZZFARRBK-CQSZACIVSA-N 2 2 286.379 2.799 40 0 CFABLP Cc1cc(CC2CC[NH+](Cc3nccn3C)CC2)cc[nH+]1 ZINC000257314889 190032861 /nfs/dbraw/zinc/03/28/61/190032861.db2.gz UYZXJJCSRMSQBL-UHFFFAOYSA-N 2 2 284.407 2.578 40 0 CFABLP C[NH+]1CCC2(CCc3[nH+]cc(-c4ccncc4)n3C2)CC1 ZINC000306139858 382452267 /nfs/dbraw/zinc/45/22/67/382452267.db2.gz UCRISKULOHTZGS-UHFFFAOYSA-N 2 2 282.391 2.603 40 0 CFABLP CNc1cc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc[nH+]1 ZINC000257301147 383495542 /nfs/dbraw/zinc/49/55/42/383495542.db2.gz RXEAHJQKDKTBNT-AWEZNQCLSA-N 2 2 283.379 2.606 40 0 CFABLP CCCCC[C@H]1[C@@H](CC(=O)OC)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000019774444 393483196 /nfs/dbraw/zinc/48/31/96/393483196.db2.gz XFNDXCULCBDGRM-PMPSAXMXSA-N 2 2 298.471 2.676 40 0 CFABLP CC(C)(C)c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000037399977 173177534 /nfs/dbraw/zinc/17/75/34/173177534.db2.gz JKKXFGOHKFOPPC-UHFFFAOYSA-N 2 2 276.424 2.658 40 0 CFABLP CC(C)(C)c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000037399977 173177537 /nfs/dbraw/zinc/17/75/37/173177537.db2.gz JKKXFGOHKFOPPC-UHFFFAOYSA-N 2 2 276.424 2.658 40 0 CFABLP CCCn1c2cc(Cl)ccc2[nH+]c1CCC[NH3+] ZINC000040417589 174255965 /nfs/dbraw/zinc/25/59/65/174255965.db2.gz APOMOCBFTBLBJU-UHFFFAOYSA-N 2 2 251.761 2.991 40 0 CFABLP CC(C)[NH+]1CCC(c2cncc(-c3ccc(N)[nH+]c3)n2)CC1 ZINC000072359300 176376627 /nfs/dbraw/zinc/37/66/27/176376627.db2.gz MPQUCYZUEYAHKL-UHFFFAOYSA-N 2 2 297.406 2.709 40 0 CFABLP Cc1ccc2[nH+]c(-c3ccccc3)c(CC[NH3+])n2c1 ZINC000002526961 281149289 /nfs/dbraw/zinc/14/92/89/281149289.db2.gz OEARNSZQPKSOHM-UHFFFAOYSA-N 2 2 251.333 2.811 40 0 CFABLP C[C@@](C[NH3+])(c1ccccc1Cl)[NH+]1CCCCC1 ZINC000070453420 297837549 /nfs/dbraw/zinc/83/75/49/297837549.db2.gz JZMLCYJOSGXWFI-CQSZACIVSA-N 2 2 252.789 3.000 40 0 CFABLP Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053731 185074254 /nfs/dbraw/zinc/07/42/54/185074254.db2.gz ZIDDQGPVLYOTBE-IRXDYDNUSA-N 2 2 297.402 2.547 40 0 CFABLP C[N@@H+]1CCCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096051199 185074850 /nfs/dbraw/zinc/07/48/50/185074850.db2.gz LYEOCDJMDJEREY-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP C[N@H+]1CCCCC12CC[NH+](Cc1ccccn1)CC2 ZINC000096051199 185074851 /nfs/dbraw/zinc/07/48/51/185074851.db2.gz LYEOCDJMDJEREY-UHFFFAOYSA-N 2 2 259.397 2.532 40 0 CFABLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096053900 185075408 /nfs/dbraw/zinc/07/54/08/185075408.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 2 2 274.383 2.599 40 0 CFABLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096053900 185075409 /nfs/dbraw/zinc/07/54/09/185075409.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 2 2 274.383 2.599 40 0 CFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096053900 185075410 /nfs/dbraw/zinc/07/54/10/185075410.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 2 2 274.383 2.599 40 0 CFABLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096053900 185075411 /nfs/dbraw/zinc/07/54/11/185075411.db2.gz OHHSYLQWTGNDPL-IYBDPMFKSA-N 2 2 274.383 2.599 40 0 CFABLP C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096075197 185089681 /nfs/dbraw/zinc/08/96/81/185089681.db2.gz KSOLQYXGRLCFOA-UHFFFAOYSA-N 2 2 262.372 2.886 40 0 CFABLP C[N@H+]1CCCC12CC[NH+](Cc1ccccc1F)CC2 ZINC000096075197 185089682 /nfs/dbraw/zinc/08/96/82/185089682.db2.gz KSOLQYXGRLCFOA-UHFFFAOYSA-N 2 2 262.372 2.886 40 0 CFABLP [NH3+]CC[C@H](Cc1[nH]c2ccccc2[nH+]1)C(F)(F)F ZINC000385328223 348533719 /nfs/dbraw/zinc/53/37/19/348533719.db2.gz OLRDQICFSDMLBJ-MRVPVSSYSA-N 2 2 257.259 2.633 40 0 CFABLP CNc1cccc(C2CCN(c3cc(C)[nH+]cn3)CC2)[nH+]1 ZINC000072364103 374247416 /nfs/dbraw/zinc/24/74/16/374247416.db2.gz CARCUTOPPHYULH-UHFFFAOYSA-N 2 2 283.379 2.606 40 0 CFABLP c1ccc(N[C@H]2CCO[C@]3(CC[N@@H+](CC4CC4)C3)C2)[nH+]c1 ZINC000096207236 375477359 /nfs/dbraw/zinc/47/73/59/375477359.db2.gz HBISVXAWTFDWKW-DOTOQJQBSA-N 2 2 287.407 2.527 40 0 CFABLP c1ccc(N[C@H]2CCO[C@]3(CC[N@H+](CC4CC4)C3)C2)[nH+]c1 ZINC000096207236 375477367 /nfs/dbraw/zinc/47/73/67/375477367.db2.gz HBISVXAWTFDWKW-DOTOQJQBSA-N 2 2 287.407 2.527 40 0 CFABLP c1cc(C[N@@H+]2CCC3(CN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202748 375477871 /nfs/dbraw/zinc/47/78/71/375477871.db2.gz ZJTLSQKEDBXFLV-UHFFFAOYSA-N 2 2 285.416 2.855 40 0 CFABLP c1cc(C[N@H+]2CCC3(CN(c4cccc[nH+]4)C3)C2)cs1 ZINC000096202748 375477878 /nfs/dbraw/zinc/47/78/78/375477878.db2.gz ZJTLSQKEDBXFLV-UHFFFAOYSA-N 2 2 285.416 2.855 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cscn3)C2)[nH+]1 ZINC000257229985 190016482 /nfs/dbraw/zinc/01/64/82/190016482.db2.gz GAFRTRGPSAPAMJ-LBPRGKRZSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cscn3)C2)[nH+]1 ZINC000257229985 190016483 /nfs/dbraw/zinc/01/64/83/190016483.db2.gz GAFRTRGPSAPAMJ-LBPRGKRZSA-N 2 2 276.409 2.565 40 0 CFABLP Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnccn3)C2)c[nH+]1 ZINC000257273895 190024710 /nfs/dbraw/zinc/02/47/10/190024710.db2.gz NIQMGHBSFNOQFT-MRXNPFEDSA-N 2 2 282.391 2.635 40 0 CFABLP Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cnccn3)C2)c[nH+]1 ZINC000257273895 190024711 /nfs/dbraw/zinc/02/47/11/190024711.db2.gz NIQMGHBSFNOQFT-MRXNPFEDSA-N 2 2 282.391 2.635 40 0 CFABLP CC[NH+](CC)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000038860410 174158371 /nfs/dbraw/zinc/15/83/71/174158371.db2.gz PXWLPGDCHNEVJU-LBPRGKRZSA-N 2 2 271.202 2.791 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072379099 176385959 /nfs/dbraw/zinc/38/59/59/176385959.db2.gz MBVWYFWVKYTOOA-CYBMUJFWSA-N 2 2 270.380 2.639 40 0 CFABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072379099 176385960 /nfs/dbraw/zinc/38/59/60/176385960.db2.gz MBVWYFWVKYTOOA-CYBMUJFWSA-N 2 2 270.380 2.639 40 0 CFABLP CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C)o1)C2 ZINC000096071603 276236119 /nfs/dbraw/zinc/23/61/19/276236119.db2.gz BDKZFRWVFFNODQ-INIZCTEOSA-N 2 2 262.397 2.896 40 0 CFABLP CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C)o1)C2 ZINC000096071603 276236121 /nfs/dbraw/zinc/23/61/21/276236121.db2.gz BDKZFRWVFFNODQ-INIZCTEOSA-N 2 2 262.397 2.896 40 0 CFABLP CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C)o1)C2 ZINC000096071603 276236123 /nfs/dbraw/zinc/23/61/23/276236123.db2.gz BDKZFRWVFFNODQ-INIZCTEOSA-N 2 2 262.397 2.896 40 0 CFABLP CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C)o1)C2 ZINC000096071603 276236125 /nfs/dbraw/zinc/23/61/25/276236125.db2.gz BDKZFRWVFFNODQ-INIZCTEOSA-N 2 2 262.397 2.896 40 0 CFABLP CC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049587 185072528 /nfs/dbraw/zinc/07/25/28/185072528.db2.gz WCKVCQFOWLASCT-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049587 185072530 /nfs/dbraw/zinc/07/25/30/185072530.db2.gz WCKVCQFOWLASCT-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049587 185072531 /nfs/dbraw/zinc/07/25/31/185072531.db2.gz WCKVCQFOWLASCT-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP CC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000096049587 185072533 /nfs/dbraw/zinc/07/25/33/185072533.db2.gz WCKVCQFOWLASCT-MRXNPFEDSA-N 2 2 294.464 2.682 40 0 CFABLP c1ccc(N[C@H]2COC3(C2)CC[NH+](CC2CC2)CC3)[nH+]c1 ZINC000096074254 185088015 /nfs/dbraw/zinc/08/80/15/185088015.db2.gz YTYVLAMSFQEHAA-OAHLLOKOSA-N 2 2 287.407 2.527 40 0 CFABLP Cn1c2ccccc2[nH+]c1C[C@H](CC[NH3+])C(F)(F)F ZINC000382141738 348528591 /nfs/dbraw/zinc/52/85/91/348528591.db2.gz CVLXMRYTWTYCCG-VIFPVBQESA-N 2 2 271.286 2.643 40 0 CFABLP CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@@H]1[NH2+]CC[NH+](C)C ZINC000019774448 372186703 /nfs/dbraw/zinc/18/67/03/372186703.db2.gz XFNDXCULCBDGRM-JYJNAYRXSA-N 2 2 298.471 2.676 40 0 CFABLP CNc1cccc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)[nH+]1 ZINC000072364317 374245764 /nfs/dbraw/zinc/24/57/64/374245764.db2.gz ODDWGEBNTSQUSI-CYBMUJFWSA-N 2 2 283.379 2.606 40 0 CFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@@H+]1C ZINC000096208681 375478008 /nfs/dbraw/zinc/47/80/08/375478008.db2.gz DARBQZLZHVZTPA-OAHLLOKOSA-N 2 2 292.423 2.663 40 0 CFABLP COC[C@H]1CCC2(CC[NH+](Cc3ccc(C)o3)CC2)[N@H+]1C ZINC000096208681 375478011 /nfs/dbraw/zinc/47/80/11/375478011.db2.gz DARBQZLZHVZTPA-OAHLLOKOSA-N 2 2 292.423 2.663 40 0 CFABLP Cc1cn(-c2ccnc([C@@H]3CCC[N@@H+](C)C3)c2)c(C)[nH+]1 ZINC000257264945 190023022 /nfs/dbraw/zinc/02/30/22/190023022.db2.gz LWPYRBNOOSZBOH-CQSZACIVSA-N 2 2 270.380 2.693 40 0 CFABLP Cc1cn(-c2ccnc([C@@H]3CCC[N@H+](C)C3)c2)c(C)[nH+]1 ZINC000257264945 190023023 /nfs/dbraw/zinc/02/30/23/190023023.db2.gz LWPYRBNOOSZBOH-CQSZACIVSA-N 2 2 270.380 2.693 40 0 CFABLP CCc1[nH+]ccn1-c1ccnc([C@H]2CCC[N@H+](C)C2)c1 ZINC000257279465 190025260 /nfs/dbraw/zinc/02/52/60/190025260.db2.gz OGTZMKWMMWYSOL-ZDUSSCGKSA-N 2 2 270.380 2.639 40 0 CFABLP CCc1[nH+]ccn1-c1ccnc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000257279465 190025261 /nfs/dbraw/zinc/02/52/61/190025261.db2.gz OGTZMKWMMWYSOL-ZDUSSCGKSA-N 2 2 270.380 2.639 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257299629 190029301 /nfs/dbraw/zinc/02/93/01/190029301.db2.gz RQVPDVWDQITBQK-AWEZNQCLSA-N 2 2 277.412 2.593 40 0 CFABLP Cc1c[nH]c([C@H]2CCC[N@@H+](CC3(O)CCCCC3)C2)[nH+]1 ZINC000257299629 190029302 /nfs/dbraw/zinc/02/93/02/190029302.db2.gz RQVPDVWDQITBQK-AWEZNQCLSA-N 2 2 277.412 2.593 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc[nH+]1 ZINC000257303153 190030767 /nfs/dbraw/zinc/03/07/67/190030767.db2.gz SFZSXYACMQQLHE-OAHLLOKOSA-N 2 2 289.423 2.506 40 0 CFABLP CN(C)c1cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)cc[nH+]1 ZINC000257303153 190030768 /nfs/dbraw/zinc/03/07/68/190030768.db2.gz SFZSXYACMQQLHE-OAHLLOKOSA-N 2 2 289.423 2.506 40 0 CFABLP CNc1cc([C@@H]2CCC[N@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257314976 190032689 /nfs/dbraw/zinc/03/26/89/190032689.db2.gz UZJVIGKUEGACEH-CYBMUJFWSA-N 2 2 288.420 2.959 40 0 CFABLP CNc1cc([C@@H]2CCC[N@@H+](Cc3cscn3)C2)cc[nH+]1 ZINC000257314976 190032690 /nfs/dbraw/zinc/03/26/90/190032690.db2.gz UZJVIGKUEGACEH-CYBMUJFWSA-N 2 2 288.420 2.959 40 0 CFABLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539845 393539231 /nfs/dbraw/zinc/53/92/31/393539231.db2.gz NXZNYVSRFFRKCX-GFCCVEGCSA-N 2 2 258.287 2.629 40 0 CFABLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539845 393539238 /nfs/dbraw/zinc/53/92/38/393539238.db2.gz NXZNYVSRFFRKCX-GFCCVEGCSA-N 2 2 258.287 2.629 40 0 CFABLP c1ccc(C[N@H+]2C[C@H]3CN(c4cccc[nH+]4)C[C@H]3C2)cc1 ZINC000307010280 397643452 /nfs/dbraw/zinc/64/34/52/397643452.db2.gz NSIHZNIMTGCVJZ-CALCHBBNSA-N 2 2 279.387 2.650 40 0 CFABLP c1ccc(C[N@@H+]2C[C@H]3CN(c4cccc[nH+]4)C[C@H]3C2)cc1 ZINC000307010280 397643455 /nfs/dbraw/zinc/64/34/55/397643455.db2.gz NSIHZNIMTGCVJZ-CALCHBBNSA-N 2 2 279.387 2.650 40 0 CFABLP