smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc12 ZINC001164844575 720687739 /nfs/dbraw/zinc/68/77/39/720687739.db2.gz USJAOFKAIATCRT-JOCHJYFZSA-N 2 2 401.554 4.803 20 0 HJADLP Cc1cc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc12 ZINC001164844575 720687741 /nfs/dbraw/zinc/68/77/41/720687741.db2.gz USJAOFKAIATCRT-JOCHJYFZSA-N 2 2 401.554 4.803 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc(C)c2c1 ZINC001165025552 721812440 /nfs/dbraw/zinc/81/24/40/721812440.db2.gz NPVHAYZZYNVTHW-QXWFJRNPSA-N 2 2 416.569 4.684 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc(C)c2c1 ZINC001165025552 721812442 /nfs/dbraw/zinc/81/24/42/721812442.db2.gz NPVHAYZZYNVTHW-QXWFJRNPSA-N 2 2 416.569 4.684 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1F ZINC001165026704 721830677 /nfs/dbraw/zinc/83/06/77/721830677.db2.gz POSFCIGNADUOKQ-HARLFGEKSA-N 2 2 420.532 4.514 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1F ZINC001165026704 721830678 /nfs/dbraw/zinc/83/06/78/721830678.db2.gz POSFCIGNADUOKQ-HARLFGEKSA-N 2 2 420.532 4.514 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026354 721821597 /nfs/dbraw/zinc/82/15/97/721821597.db2.gz PAPPWKFAYIKWGZ-UMXIMWEHSA-N 2 2 419.617 4.965 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026354 721821600 /nfs/dbraw/zinc/82/16/00/721821600.db2.gz PAPPWKFAYIKWGZ-UMXIMWEHSA-N 2 2 419.617 4.965 20 0 HJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3cccc(C)c32)CC1 ZINC001165031113 721844436 /nfs/dbraw/zinc/84/44/36/721844436.db2.gz SQGAGBIOOUVVEZ-UHFFFAOYSA-N 2 2 405.542 4.661 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c12 ZINC001165026673 721802324 /nfs/dbraw/zinc/80/23/24/721802324.db2.gz RWOJXQFRDVBNPG-OYDLWJJNSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c12 ZINC001165026673 721802327 /nfs/dbraw/zinc/80/23/27/721802327.db2.gz RWOJXQFRDVBNPG-OYDLWJJNSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1cc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc12 ZINC001164844576 720688117 /nfs/dbraw/zinc/68/81/17/720688117.db2.gz USJAOFKAIATCRT-QFIPXVFZSA-N 2 2 401.554 4.803 20 0 HJADLP Cc1cc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)[nH+]c2ccccc12 ZINC001164844576 720688125 /nfs/dbraw/zinc/68/81/25/720688125.db2.gz USJAOFKAIATCRT-QFIPXVFZSA-N 2 2 401.554 4.803 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026350 721821503 /nfs/dbraw/zinc/82/15/03/721821503.db2.gz PAPPWKFAYIKWGZ-QQKQFIJSSA-N 2 2 419.617 4.965 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026350 721821505 /nfs/dbraw/zinc/82/15/05/721821505.db2.gz PAPPWKFAYIKWGZ-QQKQFIJSSA-N 2 2 419.617 4.965 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995964 722200890 /nfs/dbraw/zinc/20/08/90/722200890.db2.gz QOAXCSXBFJJSFZ-VWLOTQADSA-N 2 2 421.516 4.636 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995964 722200891 /nfs/dbraw/zinc/20/08/91/722200891.db2.gz QOAXCSXBFJJSFZ-VWLOTQADSA-N 2 2 421.516 4.636 20 0 HJADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5ccc(C)cc54)CC3)C2)cc1 ZINC001164939747 721925647 /nfs/dbraw/zinc/92/56/47/721925647.db2.gz MLPLNGVDKKSBML-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5ccc(C)cc54)CC3)C2)cc1 ZINC001164939747 721925649 /nfs/dbraw/zinc/92/56/49/721925649.db2.gz MLPLNGVDKKSBML-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c2ccccc12 ZINC001164906269 721701254 /nfs/dbraw/zinc/70/12/54/721701254.db2.gz MXBCJBPZLBLUHU-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c2ccccc12 ZINC001164906269 721701265 /nfs/dbraw/zinc/70/12/65/721701265.db2.gz MXBCJBPZLBLUHU-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)c2cc1F ZINC001164796624 721504110 /nfs/dbraw/zinc/50/41/10/721504110.db2.gz URATWKZZOFFPCL-UHFFFAOYSA-N 2 2 420.532 4.659 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)c2cc1F ZINC001164796624 721504116 /nfs/dbraw/zinc/50/41/16/721504116.db2.gz URATWKZZOFFPCL-UHFFFAOYSA-N 2 2 420.532 4.659 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c12 ZINC001165026674 721802373 /nfs/dbraw/zinc/80/23/73/721802373.db2.gz RWOJXQFRDVBNPG-TUACAJSNSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c12 ZINC001165026674 721802374 /nfs/dbraw/zinc/80/23/74/721802374.db2.gz RWOJXQFRDVBNPG-TUACAJSNSA-N 2 2 400.570 4.984 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc(C)c2c1 ZINC001165025550 721812251 /nfs/dbraw/zinc/81/22/51/721812251.db2.gz NPVHAYZZYNVTHW-DNVKUUNQSA-N 2 2 416.569 4.684 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc(C)c2c1 ZINC001165025550 721812254 /nfs/dbraw/zinc/81/22/54/721812254.db2.gz NPVHAYZZYNVTHW-DNVKUUNQSA-N 2 2 416.569 4.684 20 0 HJADLP COc1cc2c[nH+]c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994025 722209344 /nfs/dbraw/zinc/20/93/44/722209344.db2.gz DCRZKGGXVLZDDH-RUZDIDTESA-N 2 2 421.516 4.636 20 0 HJADLP COc1cc2c[nH+]c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994025 722209347 /nfs/dbraw/zinc/20/93/47/722209347.db2.gz DCRZKGGXVLZDDH-RUZDIDTESA-N 2 2 421.516 4.636 20 0 HJADLP Cc1cccc2c1cc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906021 721705798 /nfs/dbraw/zinc/70/57/98/721705798.db2.gz JKKCQHKTXSZXNG-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1cccc2c1cc[nH+]c2N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906021 721705805 /nfs/dbraw/zinc/70/58/05/721705805.db2.gz JKKCQHKTXSZXNG-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC[C@@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995963 722200963 /nfs/dbraw/zinc/20/09/63/722200963.db2.gz QOAXCSXBFJJSFZ-RUZDIDTESA-N 2 2 421.516 4.636 20 0 HJADLP COc1cc2cc[nH+]c(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995963 722200967 /nfs/dbraw/zinc/20/09/67/722200967.db2.gz QOAXCSXBFJJSFZ-RUZDIDTESA-N 2 2 421.516 4.636 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c12 ZINC001165026672 721802559 /nfs/dbraw/zinc/80/25/59/721802559.db2.gz RWOJXQFRDVBNPG-NKKJXINNSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)[nH+]c12 ZINC001165026672 721802561 /nfs/dbraw/zinc/80/25/61/721802561.db2.gz RWOJXQFRDVBNPG-NKKJXINNSA-N 2 2 400.570 4.984 20 0 HJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]c(C)cc3ccccc32)CC1 ZINC001165023005 721842609 /nfs/dbraw/zinc/84/26/09/721842609.db2.gz VZXFDMGLAVGPMN-UHFFFAOYSA-N 2 2 405.542 4.661 20 0 HJADLP CC(C)(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164912619 721737503 /nfs/dbraw/zinc/73/75/03/721737503.db2.gz OYKLTAJVLZLJFI-JOCHJYFZSA-N 2 2 400.517 4.512 20 0 HJADLP CC(C)(C)c1ccc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164912619 721737504 /nfs/dbraw/zinc/73/75/04/721737504.db2.gz OYKLTAJVLZLJFI-JOCHJYFZSA-N 2 2 400.517 4.512 20 0 HJADLP Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164955902 722021310 /nfs/dbraw/zinc/02/13/10/722021310.db2.gz RUJDKPFOYKKXPC-UHFFFAOYSA-N 2 2 405.590 4.720 20 0 HJADLP Cc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)cc(C2CCCCC2)[nH+]1 ZINC001164955902 722021314 /nfs/dbraw/zinc/02/13/14/722021314.db2.gz RUJDKPFOYKKXPC-UHFFFAOYSA-N 2 2 405.590 4.720 20 0 HJADLP COc1cc2c[nH+]c(N3CCC[C@]4(CC[N@@H+]4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994026 722209493 /nfs/dbraw/zinc/20/94/93/722209493.db2.gz DCRZKGGXVLZDDH-VWLOTQADSA-N 2 2 421.516 4.636 20 0 HJADLP COc1cc2c[nH+]c(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994026 722209495 /nfs/dbraw/zinc/20/94/95/722209495.db2.gz DCRZKGGXVLZDDH-VWLOTQADSA-N 2 2 421.516 4.636 20 0 HJADLP Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c2ccccc12 ZINC001164906270 721701391 /nfs/dbraw/zinc/70/13/91/721701391.db2.gz MXBCJBPZLBLUHU-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c2ccccc12 ZINC001164906270 721701395 /nfs/dbraw/zinc/70/13/95/721701395.db2.gz MXBCJBPZLBLUHU-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907636 721702875 /nfs/dbraw/zinc/70/28/75/721702875.db2.gz SEEJBIVYHNTOCN-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907636 721702880 /nfs/dbraw/zinc/70/28/80/721702880.db2.gz SEEJBIVYHNTOCN-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3ccc(C)cc32)CC1 ZINC001165021296 721840929 /nfs/dbraw/zinc/84/09/29/721840929.db2.gz LAERTXAEDXJDFY-UHFFFAOYSA-N 2 2 405.542 4.661 20 0 HJADLP COc1ccc2[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc(C)c2c1 ZINC001164692960 719809320 /nfs/dbraw/zinc/80/93/20/719809320.db2.gz OMMRHAFJWURTGW-UHFFFAOYSA-N 2 2 422.598 4.952 20 0 HJADLP COc1ccc2[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc(C)c2c1 ZINC001164692960 719809321 /nfs/dbraw/zinc/80/93/21/719809321.db2.gz OMMRHAFJWURTGW-UHFFFAOYSA-N 2 2 422.598 4.952 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)[nH+]c12 ZINC001164696106 719887298 /nfs/dbraw/zinc/88/72/98/719887298.db2.gz XHRDXOAIBIHWOM-UHFFFAOYSA-N 2 2 407.583 4.785 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)[nH+]c12 ZINC001164696106 719887299 /nfs/dbraw/zinc/88/72/99/719887299.db2.gz XHRDXOAIBIHWOM-UHFFFAOYSA-N 2 2 407.583 4.785 20 0 HJADLP Cc1cccc2c1cc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906025 721705517 /nfs/dbraw/zinc/70/55/17/721705517.db2.gz JKKCQHKTXSZXNG-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1cccc2c1cc[nH+]c2N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164906025 721705523 /nfs/dbraw/zinc/70/55/23/721705523.db2.gz JKKCQHKTXSZXNG-QHCPKHFHSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c12 ZINC001165026675 721802480 /nfs/dbraw/zinc/80/24/80/721802480.db2.gz RWOJXQFRDVBNPG-ZTCOLXNVSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)[nH+]c12 ZINC001165026675 721802482 /nfs/dbraw/zinc/80/24/82/721802482.db2.gz RWOJXQFRDVBNPG-ZTCOLXNVSA-N 2 2 400.570 4.984 20 0 HJADLP Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907635 721703133 /nfs/dbraw/zinc/70/31/33/721703133.db2.gz SEEJBIVYHNTOCN-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164907635 721703138 /nfs/dbraw/zinc/70/31/38/721703138.db2.gz SEEJBIVYHNTOCN-HSZRJFAPSA-N 2 2 408.496 4.676 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026348 721821663 /nfs/dbraw/zinc/82/16/63/721821663.db2.gz PAPPWKFAYIKWGZ-PWWKTKHKSA-N 2 2 419.617 4.965 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026348 721821666 /nfs/dbraw/zinc/82/16/66/721821666.db2.gz PAPPWKFAYIKWGZ-PWWKTKHKSA-N 2 2 419.617 4.965 20 0 HJADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5c(C)cccc54)CC3)C2)cc1 ZINC001164940444 721926457 /nfs/dbraw/zinc/92/64/57/721926457.db2.gz QLVDPKXRXWGOIW-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5c(C)cccc54)CC3)C2)cc1 ZINC001164940444 721926460 /nfs/dbraw/zinc/92/64/60/721926460.db2.gz QLVDPKXRXWGOIW-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]ccc3c(C)cccc32)CC1 ZINC001165022709 721841133 /nfs/dbraw/zinc/84/11/33/721841133.db2.gz SKYHBIQHFNIOSU-UHFFFAOYSA-N 2 2 405.542 4.661 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c12 ZINC001164907879 721585307 /nfs/dbraw/zinc/58/53/07/721585307.db2.gz VNNLNFBBZOASRS-XMMPIXPASA-N 2 2 422.523 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c12 ZINC001164907879 721585309 /nfs/dbraw/zinc/58/53/09/721585309.db2.gz VNNLNFBBZOASRS-XMMPIXPASA-N 2 2 422.523 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)[nH+]c12 ZINC001164907876 721585767 /nfs/dbraw/zinc/58/57/67/721585767.db2.gz VNNLNFBBZOASRS-DEOSSOPVSA-N 2 2 422.523 4.984 20 0 HJADLP Cc1cccc2c(C)cc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)[nH+]c12 ZINC001164907876 721585772 /nfs/dbraw/zinc/58/57/72/721585772.db2.gz VNNLNFBBZOASRS-DEOSSOPVSA-N 2 2 422.523 4.984 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026352 721821841 /nfs/dbraw/zinc/82/18/41/721821841.db2.gz PAPPWKFAYIKWGZ-RSEQLOHWSA-N 2 2 419.617 4.965 20 0 HJADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C2CCCCC2)[nH+]1 ZINC001165026352 721821842 /nfs/dbraw/zinc/82/18/42/721821842.db2.gz PAPPWKFAYIKWGZ-RSEQLOHWSA-N 2 2 419.617 4.965 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1F ZINC001165026705 721830535 /nfs/dbraw/zinc/83/05/35/721830535.db2.gz POSFCIGNADUOKQ-QTGUNEKASA-N 2 2 420.532 4.514 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1F ZINC001165026705 721830537 /nfs/dbraw/zinc/83/05/37/721830537.db2.gz POSFCIGNADUOKQ-QTGUNEKASA-N 2 2 420.532 4.514 20 0 HJADLP COc1ccc2cc[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164691246 719811887 /nfs/dbraw/zinc/81/18/87/719811887.db2.gz BWKAUDRVGMQIHT-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP COc1ccc2cc[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)c2c1 ZINC001164691246 719811888 /nfs/dbraw/zinc/81/18/88/719811888.db2.gz BWKAUDRVGMQIHT-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP CC(C)(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164912623 721736802 /nfs/dbraw/zinc/73/68/02/721736802.db2.gz OYKLTAJVLZLJFI-QFIPXVFZSA-N 2 2 400.517 4.512 20 0 HJADLP CC(C)(C)c1ccc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)[nH+]c1 ZINC001164912623 721736812 /nfs/dbraw/zinc/73/68/12/721736812.db2.gz OYKLTAJVLZLJFI-QFIPXVFZSA-N 2 2 400.517 4.512 20 0 HJADLP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000010313989 557859083 /nfs/dbraw/zinc/85/90/83/557859083.db2.gz DYEROSGCFWTJGO-UHFFFAOYSA-N 2 2 420.340 4.957 20 0 HJADLP COc1cc(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)[nH+]c2ccccc21 ZINC001164691540 719811936 /nfs/dbraw/zinc/81/19/36/719811936.db2.gz GPEIJHZLXZFAPC-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP COc1cc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)[nH+]c2ccccc21 ZINC001164691540 719811937 /nfs/dbraw/zinc/81/19/37/719811937.db2.gz GPEIJHZLXZFAPC-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)[nH+]1 ZINC001164674012 719514838 /nfs/dbraw/zinc/51/48/38/719514838.db2.gz YUTWAGJAUQBZPU-UHFFFAOYSA-N 2 2 405.517 4.554 20 0 HJADLP Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)[nH+]1 ZINC001164674012 719514848 /nfs/dbraw/zinc/51/48/48/719514848.db2.gz YUTWAGJAUQBZPU-UHFFFAOYSA-N 2 2 405.517 4.554 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)cc(C)c2c1 ZINC001165025545 721812412 /nfs/dbraw/zinc/81/24/12/721812412.db2.gz NPVHAYZZYNVTHW-BFMBIBTESA-N 2 2 416.569 4.684 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)cc(C)c2c1 ZINC001165025545 721812414 /nfs/dbraw/zinc/81/24/14/721812414.db2.gz NPVHAYZZYNVTHW-BFMBIBTESA-N 2 2 416.569 4.684 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1F ZINC001165026703 721830697 /nfs/dbraw/zinc/83/06/97/721830697.db2.gz POSFCIGNADUOKQ-AVCGJXAMSA-N 2 2 420.532 4.514 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@@H]([N@@H+](C)Cc5ccccn5)[C@H]4C3)c2cc1F ZINC001165026703 721830698 /nfs/dbraw/zinc/83/06/98/721830698.db2.gz POSFCIGNADUOKQ-AVCGJXAMSA-N 2 2 420.532 4.514 20 0 HJADLP COc1ccc2c[nH+]c(N3CCC4(CCC[N@@H+]4Cc4csc(C)n4)CC3)cc2c1 ZINC001164692627 719811898 /nfs/dbraw/zinc/81/18/98/719811898.db2.gz PPVFTOSUKYCEGR-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP COc1ccc2c[nH+]c(N3CCC4(CCC[N@H+]4Cc4csc(C)n4)CC3)cc2c1 ZINC001164692627 719811899 /nfs/dbraw/zinc/81/18/99/719811899.db2.gz PPVFTOSUKYCEGR-UHFFFAOYSA-N 2 2 408.571 4.643 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1F ZINC001165026706 721830440 /nfs/dbraw/zinc/83/04/40/721830440.db2.gz POSFCIGNADUOKQ-ZEYPLWLESA-N 2 2 420.532 4.514 20 0 HJADLP COc1cc2cc[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)c2cc1F ZINC001165026706 721830441 /nfs/dbraw/zinc/83/04/41/721830441.db2.gz POSFCIGNADUOKQ-ZEYPLWLESA-N 2 2 420.532 4.514 20 0 HJADLP COc1ccc2[nH+]c(N3CCC4(CC([N@H+](C)Cc5ccncc5)C4)CC3)cc(C)c2c1 ZINC001164792998 721495193 /nfs/dbraw/zinc/49/51/93/721495193.db2.gz YAYRSRGZJJMPJX-UHFFFAOYSA-N 2 2 416.569 4.828 20 0 HJADLP COc1ccc2[nH+]c(N3CCC4(CC([N@@H+](C)Cc5ccncc5)C4)CC3)cc(C)c2c1 ZINC001164792998 721495195 /nfs/dbraw/zinc/49/51/95/721495195.db2.gz YAYRSRGZJJMPJX-UHFFFAOYSA-N 2 2 416.569 4.828 20 0 HJADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC1)CC[NH+](Cc1ccc(C)cc1)CC2 ZINC001164760546 721045480 /nfs/dbraw/zinc/04/54/80/721045480.db2.gz VPODHYMZVKDZGZ-UHFFFAOYSA-N 2 2 406.574 4.539 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@H]([N@H+](C)Cc5ccccn5)[C@@H]4C3)cc(C)c2c1 ZINC001165025548 721812355 /nfs/dbraw/zinc/81/23/55/721812355.db2.gz NPVHAYZZYNVTHW-CYSDGLOUSA-N 2 2 416.569 4.684 20 0 HJADLP COc1ccc2[nH+]c(N3C[C@@H]4CCC[C@H]([N@@H+](C)Cc5ccccn5)[C@@H]4C3)cc(C)c2c1 ZINC001165025548 721812356 /nfs/dbraw/zinc/81/23/56/721812356.db2.gz NPVHAYZZYNVTHW-CYSDGLOUSA-N 2 2 416.569 4.684 20 0 HJADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C)c5ccccc5[nH+]4)CC3)C2)cc1 ZINC001164938959 721926104 /nfs/dbraw/zinc/92/61/04/721926104.db2.gz DKOQDUIWESBGFV-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(C)c5ccccc5[nH+]4)CC3)C2)cc1 ZINC001164938959 721926107 /nfs/dbraw/zinc/92/61/07/721926107.db2.gz DKOQDUIWESBGFV-UHFFFAOYSA-N 2 2 401.554 4.723 20 0 HJADLP