smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC(C)(C)[NH2+]C(C)(C)CC(C)(C)C ZINC000002387346 166160555 /nfs/dbraw/zinc/16/05/55/166160555.db2.gz DOCOFQOBLOTXDB-UHFFFAOYSA-N 1 0 197.366 3.755 10 30 AHEERO CCCCCCCCC[C@H]1CCC[NH2+]1 ZINC000003732231 171164226 /nfs/dbraw/zinc/16/42/26/171164226.db2.gz BSTGEKOQXCZFEI-ZDUSSCGKSA-N 1 0 197.366 3.879 10 30 AHEERO CCCCCCCCC[C@@H]1CCC[NH2+]1 ZINC000003732232 171164485 /nfs/dbraw/zinc/16/44/85/171164485.db2.gz BSTGEKOQXCZFEI-CYBMUJFWSA-N 1 0 197.366 3.879 10 30 AHEERO CCCCCCC[C@@H]1CCCCC[NH2+]1 ZINC000003734865 166851035 /nfs/dbraw/zinc/85/10/35/166851035.db2.gz SIJCJSWEFVOBQL-CYBMUJFWSA-N 1 0 197.366 3.879 10 30 AHEERO C=CCCCCCCCCCC[NH3+] ZINC000005157679 171015804 /nfs/dbraw/zinc/01/58/04/171015804.db2.gz MRBDEDCIGMMPIM-UHFFFAOYSA-N 1 0 183.339 3.642 10 30 AHEERO C=C[C@H]1CCCC[N@H+]1CCCCCC ZINC000005711710 166221068 /nfs/dbraw/zinc/22/10/68/166221068.db2.gz VRWUXGSHMCCFSR-ZDUSSCGKSA-N 1 0 195.350 3.607 10 30 AHEERO C=C[C@@H]1CCCC[N@H+]1CCCCCC ZINC000005711715 166215435 /nfs/dbraw/zinc/21/54/35/166215435.db2.gz VRWUXGSHMCCFSR-CYBMUJFWSA-N 1 0 195.350 3.607 10 30 AHEERO C1CCC(=[NH+]C2CCCCC2)CC1 ZINC000032250059 166085504 /nfs/dbraw/zinc/08/55/04/166085504.db2.gz QAFRYXRYDOBFEF-UHFFFAOYSA-N 1 0 179.307 3.724 10 30 AHEERO C=[NH+]C(CCC)(CCC)CCC ZINC000033853053 573837061 /nfs/dbraw/zinc/83/70/61/573837061.db2.gz LTSABTPAOZFBSA-UHFFFAOYSA-N 1 0 169.312 3.826 10 30 AHEERO C=CC[C@@H]([NH2+]C(C)(C)CC=C)C(C)C ZINC000035923672 573957495 /nfs/dbraw/zinc/95/74/95/573957495.db2.gz UOMVDQQHCHGRNQ-GFCCVEGCSA-N 1 0 195.350 3.531 10 30 AHEERO C=CC[C@H]([NH2+]C(C)(C)CC=C)C(C)C ZINC000035923673 573955202 /nfs/dbraw/zinc/95/52/02/573955202.db2.gz UOMVDQQHCHGRNQ-LBPRGKRZSA-N 1 0 195.350 3.531 10 30 AHEERO CC(C)(C)/[NH+]=C/C=C/c1ccccc1 ZINC000038953088 571865791 /nfs/dbraw/zinc/86/57/91/571865791.db2.gz IGESIJYXZNNVSY-APBFJCRLSA-N 1 0 187.286 3.569 10 30 AHEERO CCC/C(C)=[NH+]/C1CCCCC1 ZINC000039244179 571915065 /nfs/dbraw/zinc/91/50/65/571915065.db2.gz WQWQMQMLSUWKJP-ZRDIBKRKSA-N 1 0 167.296 3.580 10 30 AHEERO C=CC[C@H]([NH2+]CCC)C1CCCCC1 ZINC000042395887 166203841 /nfs/dbraw/zinc/20/38/41/166203841.db2.gz ZIWHXTAWQAXYKY-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]([NH2+]CCC)C1CCCCC1 ZINC000042395891 166200722 /nfs/dbraw/zinc/20/07/22/166200722.db2.gz ZIWHXTAWQAXYKY-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[NH2+][C@H](C)CCCCCC ZINC000049773732 166123482 /nfs/dbraw/zinc/12/34/82/166123482.db2.gz YVMLXAVGEKNJSO-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[NH2+][C@@H](C)CCCCCC ZINC000049773733 166122546 /nfs/dbraw/zinc/12/25/46/166122546.db2.gz YVMLXAVGEKNJSO-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO CCCCCCCC[NH2+][C@@H](C)CC ZINC000059055255 572964884 /nfs/dbraw/zinc/96/48/84/572964884.db2.gz CAMLZFBMJCSQEB-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[NH2+][C@H](C)CC ZINC000059055257 572964591 /nfs/dbraw/zinc/96/45/91/572964591.db2.gz CAMLZFBMJCSQEB-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[NH2+]CCC(C)C ZINC000059055293 171184873 /nfs/dbraw/zinc/18/48/73/171184873.db2.gz XMGKHWKDNIXPDH-UHFFFAOYSA-N 1 0 199.382 3.983 10 30 AHEERO CCCCCCCCC[NH2+]C(C)C ZINC000059058347 171101731 /nfs/dbraw/zinc/10/17/31/171101731.db2.gz VXQJRNVNUXRACA-UHFFFAOYSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[NH2+][C@@H](C)CCC ZINC000059088626 572964733 /nfs/dbraw/zinc/96/47/33/572964733.db2.gz UUQOXNUYUBBIGL-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[C@@H](C)[NH2+]CC(C)C ZINC000059089678 572964803 /nfs/dbraw/zinc/96/48/03/572964803.db2.gz DPAQMHUYSFIAHL-CYBMUJFWSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[C@H]([NH3+])C(C)(C)C ZINC000059106912 351581084 /nfs/dbraw/zinc/58/10/84/351581084.db2.gz GLBVPDFRHPHUEI-NSHDSACASA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCC[C@@H]([NH3+])C(C)(C)C ZINC000059106914 534988604 /nfs/dbraw/zinc/98/86/04/534988604.db2.gz GLBVPDFRHPHUEI-LLVKDONJSA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCCC[NH2+]CC1CCC1 ZINC000059191652 572967150 /nfs/dbraw/zinc/96/71/50/572967150.db2.gz MRJJBPCNBIPQPG-UHFFFAOYSA-N 1 0 197.366 3.737 10 30 AHEERO CCCCCCCCC[NH2+]CCC ZINC000059620685 171185243 /nfs/dbraw/zinc/18/52/43/171185243.db2.gz FLSRMWBZKWEQHA-UHFFFAOYSA-N 1 0 185.355 3.737 10 30 AHEERO CCCCCCCCCC[C@@H](C)[NH3+] ZINC000060138590 171102339 /nfs/dbraw/zinc/10/23/39/171102339.db2.gz VXUXKOBYNVVANW-GFCCVEGCSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCCCCC[C@H](C)[NH3+] ZINC000060138592 171102076 /nfs/dbraw/zinc/10/20/76/171102076.db2.gz VXUXKOBYNVVANW-LBPRGKRZSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCCCCC(C)(C)[NH3+] ZINC000060146760 171184991 /nfs/dbraw/zinc/18/49/91/171184991.db2.gz WXBXQUFGRJEKPL-UHFFFAOYSA-N 1 0 185.355 3.864 10 30 AHEERO C=CCC[NH2+][C@H](C)CCCCCC ZINC000070591947 572239128 /nfs/dbraw/zinc/23/91/28/572239128.db2.gz GUBUJBOBCFPPIQ-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCC[NH2+][C@@H](C)CCCCCC ZINC000070591948 572239535 /nfs/dbraw/zinc/23/95/35/572239535.db2.gz GUBUJBOBCFPPIQ-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[NH2+][C@H](C)CCCCCC ZINC000070591949 572239472 /nfs/dbraw/zinc/23/94/72/572239472.db2.gz UKLCLKFXZNVCIV-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[NH2+][C@@H](C)CCCCCC ZINC000070591950 572239673 /nfs/dbraw/zinc/23/96/73/572239673.db2.gz UKLCLKFXZNVCIV-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[NH2+]C1CCC(CCC)CC1 ZINC000070592025 571674485 /nfs/dbraw/zinc/67/44/85/571674485.db2.gz FTGZYTJUMGXZLJ-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H](CC(C)C)[NH2+]CCC ZINC000070594384 571677308 /nfs/dbraw/zinc/67/73/08/571677308.db2.gz BJGNABAWOXVQPF-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CC(C)C)[NH2+]CCC ZINC000070594385 571677611 /nfs/dbraw/zinc/67/76/11/571677611.db2.gz BJGNABAWOXVQPF-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]C)C1CCCCC1 ZINC000070594468 571676604 /nfs/dbraw/zinc/67/66/04/571676604.db2.gz DPSCJTAMAPLYSS-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]([NH2+]C)C1CCCCC1 ZINC000070594469 571677424 /nfs/dbraw/zinc/67/74/24/571677424.db2.gz DPSCJTAMAPLYSS-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]CC)C1CCCCC1 ZINC000070594474 571677102 /nfs/dbraw/zinc/67/71/02/571677102.db2.gz CJZGBMTVCBHQGS-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]CC)C1CCCCC1 ZINC000070594475 571677404 /nfs/dbraw/zinc/67/74/04/571677404.db2.gz CJZGBMTVCBHQGS-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H](CCC)[NH2+]CCC ZINC000070594488 571676737 /nfs/dbraw/zinc/67/67/37/571676737.db2.gz VJMMRXVTEMGCIF-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@@H](CCC)[NH2+]CCC ZINC000070594489 571677359 /nfs/dbraw/zinc/67/73/59/571677359.db2.gz VJMMRXVTEMGCIF-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@H]([NH2+]CCC)C(C)(C)C ZINC000070594516 571677873 /nfs/dbraw/zinc/67/78/73/571677873.db2.gz YQMXZRYRXYNMKD-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H]([NH2+]CCC)C(C)(C)C ZINC000070594517 571676396 /nfs/dbraw/zinc/67/63/96/571676396.db2.gz YQMXZRYRXYNMKD-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]CC)C1CCCC1 ZINC000070594562 571678051 /nfs/dbraw/zinc/67/80/51/571678051.db2.gz OSLCYYUGCQFBTH-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]([NH2+]CC)C1CCCC1 ZINC000070594563 571677814 /nfs/dbraw/zinc/67/78/14/571677814.db2.gz OSLCYYUGCQFBTH-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)C1CCCC1 ZINC000070594568 571676251 /nfs/dbraw/zinc/67/62/51/571676251.db2.gz JBCGDKSHAXBWSL-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)C1CCCC1 ZINC000070594569 571677496 /nfs/dbraw/zinc/67/74/96/571677496.db2.gz JBCGDKSHAXBWSL-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H](CCC(C)C)[NH2+]CC ZINC000070594678 571677889 /nfs/dbraw/zinc/67/78/89/571677889.db2.gz MFZZBGBDEOZEJF-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CCC(C)C)[NH2+]CC ZINC000070594679 571677655 /nfs/dbraw/zinc/67/76/55/571677655.db2.gz MFZZBGBDEOZEJF-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](CCC(C)C)[NH2+]CCC ZINC000070594684 571677037 /nfs/dbraw/zinc/67/70/37/571677037.db2.gz DJVCGKUHIGDPAR-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CCC(C)C)[NH2+]CCC ZINC000070594685 571676910 /nfs/dbraw/zinc/67/69/10/571676910.db2.gz DJVCGKUHIGDPAR-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]CCC)[C@@H](C)CC ZINC000070595164 571678593 /nfs/dbraw/zinc/67/85/93/571678593.db2.gz XVYKZSBNOKSJSS-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H]([NH2+]CCC)[C@@H](C)CC ZINC000070595165 571679301 /nfs/dbraw/zinc/67/93/01/571679301.db2.gz XVYKZSBNOKSJSS-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]CCC)[C@H](C)CC ZINC000070595166 571679735 /nfs/dbraw/zinc/67/97/35/571679735.db2.gz XVYKZSBNOKSJSS-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H]([NH2+]CCC)[C@H](C)CC ZINC000070595167 571680339 /nfs/dbraw/zinc/68/03/39/571680339.db2.gz XVYKZSBNOKSJSS-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](CC(C)(C)C)[NH2+]CC ZINC000070595194 571679269 /nfs/dbraw/zinc/67/92/69/571679269.db2.gz JTXSOTHBMWIWMB-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CC(C)(C)C)[NH2+]CC ZINC000070595195 571680489 /nfs/dbraw/zinc/68/04/89/571680489.db2.gz JTXSOTHBMWIWMB-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](CC(C)(C)C)[NH2+]CCC ZINC000070595200 571679131 /nfs/dbraw/zinc/67/91/31/571679131.db2.gz LSMMKHLIJHTSKG-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CC(C)(C)C)[NH2+]CCC ZINC000070595201 571680624 /nfs/dbraw/zinc/68/06/24/571680624.db2.gz LSMMKHLIJHTSKG-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]1CCCC[C@H]1[NH2+]CC ZINC000070595609 571678943 /nfs/dbraw/zinc/67/89/43/571678943.db2.gz QBSMWOFYDSBYJZ-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCCC[C@@H]1[NH2+]CC ZINC000070595610 571679618 /nfs/dbraw/zinc/67/96/18/571679618.db2.gz QBSMWOFYDSBYJZ-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000070595611 571680256 /nfs/dbraw/zinc/68/02/56/571680256.db2.gz QBSMWOFYDSBYJZ-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000070595612 571678365 /nfs/dbraw/zinc/67/83/65/571678365.db2.gz QBSMWOFYDSBYJZ-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCC[C@H]1[NH2+]CCC ZINC000070595613 571679915 /nfs/dbraw/zinc/67/99/15/571679915.db2.gz ZBQSYZSYPHHQPH-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCC[C@@H]1[NH2+]CCC ZINC000070595614 571679276 /nfs/dbraw/zinc/67/92/76/571679276.db2.gz ZBQSYZSYPHHQPH-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCC[C@H]1[NH2+]CCC ZINC000070595615 571678925 /nfs/dbraw/zinc/67/89/25/571678925.db2.gz ZBQSYZSYPHHQPH-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC ZINC000070595616 571679637 /nfs/dbraw/zinc/67/96/37/571679637.db2.gz ZBQSYZSYPHHQPH-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCC[C@H]1[NH2+]CCC ZINC000070595641 571679605 /nfs/dbraw/zinc/67/96/05/571679605.db2.gz MOOXWRFGQYKLGW-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCC[C@@H]1[NH2+]CCC ZINC000070595642 571679608 /nfs/dbraw/zinc/67/96/08/571679608.db2.gz MOOXWRFGQYKLGW-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCC[C@H]1[NH2+]CCC ZINC000070595643 571679340 /nfs/dbraw/zinc/67/93/40/571679340.db2.gz MOOXWRFGQYKLGW-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCC[C@@H]1[NH2+]CCC ZINC000070595644 571680040 /nfs/dbraw/zinc/68/00/40/571680040.db2.gz MOOXWRFGQYKLGW-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCCCC[C@H]1[NH2+]C ZINC000070595649 571679816 /nfs/dbraw/zinc/67/98/16/571679816.db2.gz NEHLURRPMUUOJV-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000070595650 571678902 /nfs/dbraw/zinc/67/89/02/571678902.db2.gz NEHLURRPMUUOJV-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000070595651 571678404 /nfs/dbraw/zinc/67/84/04/571678404.db2.gz NEHLURRPMUUOJV-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000070595652 571680006 /nfs/dbraw/zinc/68/00/06/571680006.db2.gz NEHLURRPMUUOJV-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCCC[C@H]1[NH2+]CC ZINC000070595653 571678875 /nfs/dbraw/zinc/67/88/75/571678875.db2.gz HIYCTJKQALUTGB-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000070595654 571679350 /nfs/dbraw/zinc/67/93/50/571679350.db2.gz HIYCTJKQALUTGB-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCCC[C@H]1[NH2+]CC ZINC000070595655 571679015 /nfs/dbraw/zinc/67/90/15/571679015.db2.gz HIYCTJKQALUTGB-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000070595656 571680101 /nfs/dbraw/zinc/68/01/01/571680101.db2.gz HIYCTJKQALUTGB-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCCC[NH2+]C(C)(C)C ZINC000070743593 571747972 /nfs/dbraw/zinc/74/79/72/571747972.db2.gz JHQNDVWPWMOKJP-UHFFFAOYSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000070744729 571749624 /nfs/dbraw/zinc/74/96/24/571749624.db2.gz NJBIZZVJLDKHAB-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CC[C@H]([NH2+]CCC)C1 ZINC000070744730 571750296 /nfs/dbraw/zinc/75/02/96/571750296.db2.gz NJBIZZVJLDKHAB-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000070744731 571750450 /nfs/dbraw/zinc/75/04/50/571750450.db2.gz NJBIZZVJLDKHAB-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CC[C@H]([NH2+]CCC)C1 ZINC000070744732 571750524 /nfs/dbraw/zinc/75/05/24/571750524.db2.gz NJBIZZVJLDKHAB-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000070745209 571750046 /nfs/dbraw/zinc/75/00/46/571750046.db2.gz CZFYOCLYIUXCLS-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]1CCC[C@H]([NH2+]CC)C1 ZINC000070745210 571751295 /nfs/dbraw/zinc/75/12/95/571751295.db2.gz CZFYOCLYIUXCLS-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000070745211 571750858 /nfs/dbraw/zinc/75/08/58/571750858.db2.gz CZFYOCLYIUXCLS-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCC[C@H]([NH2+]CC)C1 ZINC000070745212 571750915 /nfs/dbraw/zinc/75/09/15/571750915.db2.gz CZFYOCLYIUXCLS-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000070745357 571750853 /nfs/dbraw/zinc/75/08/53/571750853.db2.gz GGUIJALYKNSIKA-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000070745358 571751105 /nfs/dbraw/zinc/75/11/05/571751105.db2.gz GGUIJALYKNSIKA-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000070745359 571750120 /nfs/dbraw/zinc/75/01/20/571750120.db2.gz GGUIJALYKNSIKA-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000070745360 571750116 /nfs/dbraw/zinc/75/01/16/571750116.db2.gz GGUIJALYKNSIKA-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](CCC)[NH2+]C ZINC000070745555 571751336 /nfs/dbraw/zinc/75/13/36/571751336.db2.gz CHDJMUCHGDWLHT-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCCC[C@@H](CCC)[NH2+]C ZINC000070745556 571749898 /nfs/dbraw/zinc/74/98/98/571749898.db2.gz CHDJMUCHGDWLHT-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCC[C@H](CCC)[NH2+]CC ZINC000070745629 571750548 /nfs/dbraw/zinc/75/05/48/571750548.db2.gz LGOPEVMJNBLXDG-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCC[C@@H](CCC)[NH2+]CC ZINC000070745630 571749833 /nfs/dbraw/zinc/74/98/33/571749833.db2.gz LGOPEVMJNBLXDG-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCCC[C@H](CCC)[NH2+]CC ZINC000070745642 571750598 /nfs/dbraw/zinc/75/05/98/571750598.db2.gz XAAKYNYDKMHFBJ-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCCC[C@@H](CCC)[NH2+]CC ZINC000070745643 571750562 /nfs/dbraw/zinc/75/05/62/571750562.db2.gz XAAKYNYDKMHFBJ-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCC[C@H](CCC)[NH2+]CCC ZINC000070745718 571751239 /nfs/dbraw/zinc/75/12/39/571751239.db2.gz YJJNVBXBSPMZSF-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCC[C@@H](CCC)[NH2+]CCC ZINC000070745719 571750493 /nfs/dbraw/zinc/75/04/93/571750493.db2.gz YJJNVBXBSPMZSF-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745835 571751075 /nfs/dbraw/zinc/75/10/75/571751075.db2.gz LQZRMTILSUIXHZ-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000070745837 571750065 /nfs/dbraw/zinc/75/00/65/571750065.db2.gz LQZRMTILSUIXHZ-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000070745838 571750078 /nfs/dbraw/zinc/75/00/78/571750078.db2.gz LQZRMTILSUIXHZ-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000070746034 571749784 /nfs/dbraw/zinc/74/97/84/571749784.db2.gz PUVDAGXEEWBORK-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000070746036 571751362 /nfs/dbraw/zinc/75/13/62/571751362.db2.gz PUVDAGXEEWBORK-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000070746038 571750560 /nfs/dbraw/zinc/75/05/60/571750560.db2.gz PUVDAGXEEWBORK-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000070746041 571750776 /nfs/dbraw/zinc/75/07/76/571750776.db2.gz PUVDAGXEEWBORK-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H]1CCCC[C@@H]([NH2+]CCC)C1 ZINC000070746255 571751339 /nfs/dbraw/zinc/75/13/39/571751339.db2.gz RTWPWURCAUFLPE-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H]1CCCC[C@H]([NH2+]CCC)C1 ZINC000070746257 571749683 /nfs/dbraw/zinc/74/96/83/571749683.db2.gz RTWPWURCAUFLPE-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]1CCCC[C@@H]([NH2+]CCC)C1 ZINC000070746260 571751385 /nfs/dbraw/zinc/75/13/85/571751385.db2.gz RTWPWURCAUFLPE-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]1CCCC[C@H]([NH2+]CCC)C1 ZINC000070746261 571750173 /nfs/dbraw/zinc/75/01/73/571750173.db2.gz RTWPWURCAUFLPE-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](CC)[NH2+]CC ZINC000070746645 571749646 /nfs/dbraw/zinc/74/96/46/571749646.db2.gz ZCDVTPYVPBHAIY-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCCC[C@@H](CC)[NH2+]CC ZINC000070746647 571750697 /nfs/dbraw/zinc/75/06/97/571750697.db2.gz ZCDVTPYVPBHAIY-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCC[C@H](CC)[NH2+]CCC ZINC000070746748 571749891 /nfs/dbraw/zinc/74/98/91/571749891.db2.gz GTFNOMAWGNRKEB-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCC[C@@H](CC)[NH2+]CCC ZINC000070746749 571750037 /nfs/dbraw/zinc/75/00/37/571750037.db2.gz GTFNOMAWGNRKEB-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCCCC[C@H](CC)[NH2+]CCC ZINC000070746761 571750840 /nfs/dbraw/zinc/75/08/40/571750840.db2.gz BCWMDOCJMFWJSH-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCCC[C@@H](CC)[NH2+]CCC ZINC000070746762 571750264 /nfs/dbraw/zinc/75/02/64/571750264.db2.gz BCWMDOCJMFWJSH-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCCC[C@H]([NH2+]CC)C(C)C ZINC000070746981 571751282 /nfs/dbraw/zinc/75/12/82/571751282.db2.gz IYZNLQQVCKFWJF-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@@H]([NH2+]CC)C(C)C ZINC000070746983 571749927 /nfs/dbraw/zinc/74/99/27/571749927.db2.gz IYZNLQQVCKFWJF-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@H]([NH2+]CCC)C(C)C ZINC000070747054 571751145 /nfs/dbraw/zinc/75/11/45/571751145.db2.gz CRZCWMCNMILLNN-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@@H]([NH2+]CCC)C(C)C ZINC000070747055 571751168 /nfs/dbraw/zinc/75/11/68/571751168.db2.gz CRZCWMCNMILLNN-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@H]([NH2+]CC)C1CC1 ZINC000070747251 571750386 /nfs/dbraw/zinc/75/03/86/571750386.db2.gz ZXTHTTWUYXZSOX-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]([NH2+]CC)C1CC1 ZINC000070747252 571751091 /nfs/dbraw/zinc/75/10/91/571751091.db2.gz ZXTHTTWUYXZSOX-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[C@H]([NH2+]CCC)C1CC1 ZINC000070747303 571751216 /nfs/dbraw/zinc/75/12/16/571751216.db2.gz SQZNVQVDIYJTRU-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[C@@H]([NH2+]CCC)C1CC1 ZINC000070747304 571750510 /nfs/dbraw/zinc/75/05/10/571750510.db2.gz SQZNVQVDIYJTRU-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]([NH2+]C)C(C)(C)C ZINC000070747352 571750629 /nfs/dbraw/zinc/75/06/29/571750629.db2.gz FNFSLQOSTPIZPR-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@H]([NH2+]C)C(C)(C)C ZINC000070747353 571751249 /nfs/dbraw/zinc/75/12/49/571751249.db2.gz FNFSLQOSTPIZPR-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@H]([NH2+]CC)C(C)(C)C ZINC000070747406 571749842 /nfs/dbraw/zinc/74/98/42/571749842.db2.gz HEIFFQJTPGTMID-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@@H]([NH2+]CC)C(C)(C)C ZINC000070747407 571751011 /nfs/dbraw/zinc/75/10/11/571751011.db2.gz HEIFFQJTPGTMID-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO CCCCCCCC1([NH3+])CCCC1 ZINC000077920725 571830919 /nfs/dbraw/zinc/83/09/19/571830919.db2.gz UPPGTOGNTMTBIJ-UHFFFAOYSA-N 1 0 183.339 3.618 10 30 AHEERO CCCCCCCCC1([NH3+])CCC1 ZINC000077945771 571828267 /nfs/dbraw/zinc/82/82/67/571828267.db2.gz OJTZLGRABXITRV-UHFFFAOYSA-N 1 0 183.339 3.618 10 30 AHEERO CCCCCCCC([NH3+])(CC)CC ZINC000079367088 571947173 /nfs/dbraw/zinc/94/71/73/571947173.db2.gz SPLHMQWLSNJTEM-UHFFFAOYSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCC[C@H]([NH3+])C1CCCC1 ZINC000080315561 571962341 /nfs/dbraw/zinc/96/23/41/571962341.db2.gz SRSNEQUEWQEFKE-ZDUSSCGKSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@@H]([NH3+])C1CCCC1 ZINC000080315564 571960636 /nfs/dbraw/zinc/96/06/36/571960636.db2.gz SRSNEQUEWQEFKE-CYBMUJFWSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@@H]1CCCC[NH2+]C1 ZINC000082184073 572016277 /nfs/dbraw/zinc/01/62/77/572016277.db2.gz FZCWTFNHBUMKBV-CYBMUJFWSA-N 1 0 197.366 3.737 10 30 AHEERO CCCCCCC[C@H]1CCCC[NH2+]C1 ZINC000082184074 572014555 /nfs/dbraw/zinc/01/45/55/572014555.db2.gz FZCWTFNHBUMKBV-ZDUSSCGKSA-N 1 0 197.366 3.737 10 30 AHEERO C=CCCCC[C@H](C)C[NH2+]C(C)(C)C ZINC000082764296 572102249 /nfs/dbraw/zinc/10/22/49/572102249.db2.gz ZVXIKRTZPRIMIM-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@@H](C)C[NH2+]C(C)(C)C ZINC000082764297 572101741 /nfs/dbraw/zinc/10/17/41/572101741.db2.gz ZVXIKRTZPRIMIM-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[C@H](C)C[NH2+]CC(C)C ZINC000082764394 572103596 /nfs/dbraw/zinc/10/35/96/572103596.db2.gz BJEYKVZMMROTMI-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCC[C@H](C)C[C@H](C)[NH2+]CCC ZINC000082811051 572126158 /nfs/dbraw/zinc/12/61/58/572126158.db2.gz GFDOPIQMJXVHCK-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000082811054 572126299 /nfs/dbraw/zinc/12/62/99/572126299.db2.gz GFDOPIQMJXVHCK-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000082811057 572126798 /nfs/dbraw/zinc/12/67/98/572126798.db2.gz GFDOPIQMJXVHCK-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC(C)(C)C[C@H](C)[NH2+]CC ZINC000082816854 572127449 /nfs/dbraw/zinc/12/74/49/572127449.db2.gz KCLMNEXESJAQSL-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC(C)(C)C[C@@H](C)[NH2+]CC ZINC000082816855 572128539 /nfs/dbraw/zinc/12/85/39/572128539.db2.gz KCLMNEXESJAQSL-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC(C)(C)C[C@H](C)[NH2+]CCC ZINC000082816902 572128740 /nfs/dbraw/zinc/12/87/40/572128740.db2.gz HLDRGZRYRQFSOD-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC(C)(C)C[C@@H](C)[NH2+]CCC ZINC000082816903 572127955 /nfs/dbraw/zinc/12/79/55/572127955.db2.gz HLDRGZRYRQFSOD-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[NH2+][C@H]1CCC[C@@H](CCC)CC1 ZINC000083437136 572215121 /nfs/dbraw/zinc/21/51/21/572215121.db2.gz USHKHOHQLPNUDH-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[NH2+][C@H]1CCC[C@H](CCC)CC1 ZINC000083437137 572215923 /nfs/dbraw/zinc/21/59/23/572215923.db2.gz USHKHOHQLPNUDH-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]([NH3+])C1CCCCCC1 ZINC000083779449 572408443 /nfs/dbraw/zinc/40/84/43/572408443.db2.gz QPYLFOVAJGLMBE-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@@H]([NH3+])C1CCCCCC1 ZINC000083779451 572409303 /nfs/dbraw/zinc/40/93/03/572409303.db2.gz QPYLFOVAJGLMBE-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@H]([NH2+]C)C1CCCCCC1 ZINC000083779641 572407707 /nfs/dbraw/zinc/40/77/07/572407707.db2.gz NECSRSIJYOLNLZ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]C)C1CCCCCC1 ZINC000083779643 572409651 /nfs/dbraw/zinc/40/96/51/572409651.db2.gz NECSRSIJYOLNLZ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]([NH2+]CC)C1CCCCCC1 ZINC000083779686 572409088 /nfs/dbraw/zinc/40/90/88/572409088.db2.gz PJAVFCOECCIBCE-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H]([NH2+]CCC)C1CCCCCC1 ZINC000083947942 572465015 /nfs/dbraw/zinc/46/50/15/572465015.db2.gz ZLPVBXLDIQCDKU-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H]([NH2+]CCC)C1CCCCCC1 ZINC000083947943 572466106 /nfs/dbraw/zinc/46/61/06/572466106.db2.gz ZLPVBXLDIQCDKU-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H]([NH2+]CCC)C1CCC1 ZINC000084888218 571842353 /nfs/dbraw/zinc/84/23/53/571842353.db2.gz QAVDZGSNNLZDLQ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+]C1CCCCCCC1 ZINC000085057020 572639474 /nfs/dbraw/zinc/63/94/74/572639474.db2.gz PDIXKWSSBOFNSJ-UHFFFAOYSA-N 1 0 195.350 3.655 10 30 AHEERO C=C(CC)C[NH2+]CCC1CCCCC1 ZINC000085057600 572640423 /nfs/dbraw/zinc/64/04/23/572640423.db2.gz KHTUEJBTRQSSRT-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=C(CC)C[NH2+][C@H](C)CCCCC ZINC000085057826 572640501 /nfs/dbraw/zinc/64/05/01/572640501.db2.gz ZUBILTOSXIRCNJ-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@H](C)CCCCC ZINC000085057828 572639794 /nfs/dbraw/zinc/63/97/94/572639794.db2.gz ZUBILTOSXIRCNJ-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[NH2+]C1CCC(CC)CC1 ZINC000085057852 572638258 /nfs/dbraw/zinc/63/82/58/572638258.db2.gz GTGKUCGKSZZBDL-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@H](C)CCCC(C)C ZINC000085057866 572638558 /nfs/dbraw/zinc/63/85/58/572638558.db2.gz IGRHPZQSJMDXHI-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[NH2+][C@H](C)CCCC(C)C ZINC000085057870 572639038 /nfs/dbraw/zinc/63/90/38/572639038.db2.gz IGRHPZQSJMDXHI-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[NH2+][C@H](C)CCCCCC ZINC000085057905 572640112 /nfs/dbraw/zinc/64/01/12/572640112.db2.gz XARZHOWTNJRMSP-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[NH2+][C@@H](C)CCCCCC ZINC000085057908 572638838 /nfs/dbraw/zinc/63/88/38/572638838.db2.gz XARZHOWTNJRMSP-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[NH2+]C1CCC(C)(C)CC1 ZINC000085058714 572646253 /nfs/dbraw/zinc/64/62/53/572646253.db2.gz YFONAWMVVCBIST-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000085058820 572643034 /nfs/dbraw/zinc/64/30/34/572643034.db2.gz CPOKLQZXRKVSLV-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000085058822 572645610 /nfs/dbraw/zinc/64/56/10/572645610.db2.gz CPOKLQZXRKVSLV-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000085058824 572644308 /nfs/dbraw/zinc/64/43/08/572644308.db2.gz CPOKLQZXRKVSLV-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000085058827 572645073 /nfs/dbraw/zinc/64/50/73/572645073.db2.gz CPOKLQZXRKVSLV-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H](CC(C)C)[NH2+]CCC ZINC000085062493 572647312 /nfs/dbraw/zinc/64/73/12/572647312.db2.gz WMEKZRQHIOBJDA-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](CC(C)C)[NH2+]CCC ZINC000085062495 572649398 /nfs/dbraw/zinc/64/93/98/572649398.db2.gz WMEKZRQHIOBJDA-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]C)C1CCCCC1 ZINC000085062604 572648725 /nfs/dbraw/zinc/64/87/25/572648725.db2.gz ZINFAWUHGHNAGU-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]C)C1CCCCC1 ZINC000085062607 572646862 /nfs/dbraw/zinc/64/68/62/572646862.db2.gz ZINFAWUHGHNAGU-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H](CCC)[NH2+]CCC ZINC000085062629 572647672 /nfs/dbraw/zinc/64/76/72/572647672.db2.gz WFGXIWHIUJZGOT-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@@H](CCC)[NH2+]CCC ZINC000085062631 572648417 /nfs/dbraw/zinc/64/84/17/572648417.db2.gz WFGXIWHIUJZGOT-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CCC)C(C)(C)C ZINC000085062667 572647085 /nfs/dbraw/zinc/64/70/85/572647085.db2.gz AGDZBZYHAAISDW-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CCC)C(C)(C)C ZINC000085062670 572647873 /nfs/dbraw/zinc/64/78/73/572647873.db2.gz AGDZBZYHAAISDW-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)C1CCCC1 ZINC000085062730 572646926 /nfs/dbraw/zinc/64/69/26/572646926.db2.gz LGYLEJNBYVATJF-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)C1CCCC1 ZINC000085062734 572648380 /nfs/dbraw/zinc/64/83/80/572648380.db2.gz LGYLEJNBYVATJF-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H](CCC(C)C)[NH2+]CC ZINC000085062883 572648064 /nfs/dbraw/zinc/64/80/64/572648064.db2.gz KVJVEBGPLSJWRF-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H](CCC(C)C)[NH2+]CC ZINC000085062884 572646965 /nfs/dbraw/zinc/64/69/65/572646965.db2.gz KVJVEBGPLSJWRF-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CCC)[C@@H](C)CC ZINC000085063411 572647082 /nfs/dbraw/zinc/64/70/82/572647082.db2.gz SENAZZXMPNOTEY-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CCC)[C@@H](C)CC ZINC000085063414 572647309 /nfs/dbraw/zinc/64/73/09/572647309.db2.gz SENAZZXMPNOTEY-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CCC)[C@H](C)CC ZINC000085063419 572649118 /nfs/dbraw/zinc/64/91/18/572649118.db2.gz SENAZZXMPNOTEY-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CCC)[C@H](C)CC ZINC000085063422 572646977 /nfs/dbraw/zinc/64/69/77/572646977.db2.gz SENAZZXMPNOTEY-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](CC(C)(C)C)[NH2+]CC ZINC000085063449 572646938 /nfs/dbraw/zinc/64/69/38/572646938.db2.gz SOYYAZXEJPDDHX-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H](CC(C)(C)C)[NH2+]CC ZINC000085063452 572648633 /nfs/dbraw/zinc/64/86/33/572648633.db2.gz SOYYAZXEJPDDHX-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CCC)C1CCC1 ZINC000085063672 572646819 /nfs/dbraw/zinc/64/68/19/572646819.db2.gz FLDJAQXJLPDHGZ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CCC)C1CCC1 ZINC000085063676 572647614 /nfs/dbraw/zinc/64/76/14/572647614.db2.gz FLDJAQXJLPDHGZ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C1CCCCCC1 ZINC000085064242 572639416 /nfs/dbraw/zinc/63/94/16/572639416.db2.gz RUGUXHQYSBPNPP-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C1CCCCCC1 ZINC000085064245 572641543 /nfs/dbraw/zinc/64/15/43/572641543.db2.gz RUGUXHQYSBPNPP-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000085070568 572651833 /nfs/dbraw/zinc/65/18/33/572651833.db2.gz JERXJNFPWMVSGO-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCC[C@@H]1[NH2+]CC ZINC000085070569 572652455 /nfs/dbraw/zinc/65/24/55/572652455.db2.gz JERXJNFPWMVSGO-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCCC[C@H]1[NH2+]CC ZINC000085070570 572650840 /nfs/dbraw/zinc/65/08/40/572650840.db2.gz JERXJNFPWMVSGO-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCC[C@H]1[NH2+]CC ZINC000085070571 572651696 /nfs/dbraw/zinc/65/16/96/572651696.db2.gz JERXJNFPWMVSGO-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCC[C@H]1[NH2+]CCC ZINC000085070584 572650947 /nfs/dbraw/zinc/65/09/47/572650947.db2.gz CHERTYIFKZHXIO-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCC[C@@H]1[NH2+]CCC ZINC000085070585 572650571 /nfs/dbraw/zinc/65/05/71/572650571.db2.gz CHERTYIFKZHXIO-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCC[C@H]1[NH2+]CCC ZINC000085070586 572651534 /nfs/dbraw/zinc/65/15/34/572651534.db2.gz CHERTYIFKZHXIO-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCC[C@@H]1[NH2+]CCC ZINC000085070587 572650243 /nfs/dbraw/zinc/65/02/43/572650243.db2.gz CHERTYIFKZHXIO-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCCCC[C@@H]1[NH2+]C ZINC000085070588 572650862 /nfs/dbraw/zinc/65/08/62/572650862.db2.gz NQFXXUSTUNYOOB-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCCC[C@@H]1[NH2+]C ZINC000085070589 572651584 /nfs/dbraw/zinc/65/15/84/572651584.db2.gz NQFXXUSTUNYOOB-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCCCC[C@H]1[NH2+]C ZINC000085070590 572652682 /nfs/dbraw/zinc/65/26/82/572652682.db2.gz NQFXXUSTUNYOOB-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCCC[C@H]1[NH2+]C ZINC000085070591 572650484 /nfs/dbraw/zinc/65/04/84/572650484.db2.gz NQFXXUSTUNYOOB-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CCCC[NH2+]C(C)(C)C ZINC000085070938 572650250 /nfs/dbraw/zinc/65/02/50/572650250.db2.gz OITWZOREKPQPDM-UHFFFAOYSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@H](C)[NH2+]CCC ZINC000085070951 572650239 /nfs/dbraw/zinc/65/02/39/572650239.db2.gz XLUDDDLLZRKGBI-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@@H](C)[NH2+]CCC ZINC000085070954 572650430 /nfs/dbraw/zinc/65/04/30/572650430.db2.gz XLUDDDLLZRKGBI-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000085070970 572652229 /nfs/dbraw/zinc/65/22/29/572652229.db2.gz KYFDUPYJLFWLEX-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CC[C@H]([NH2+]CCC)C1 ZINC000085070972 572650170 /nfs/dbraw/zinc/65/01/70/572650170.db2.gz KYFDUPYJLFWLEX-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CC[C@@H]([NH2+]CCC)C1 ZINC000085070974 572650663 /nfs/dbraw/zinc/65/06/63/572650663.db2.gz KYFDUPYJLFWLEX-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CC[C@H]([NH2+]CCC)C1 ZINC000085070976 572651958 /nfs/dbraw/zinc/65/19/58/572651958.db2.gz KYFDUPYJLFWLEX-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCC[C@H]([NH2+]CC)C1 ZINC000085070985 572650335 /nfs/dbraw/zinc/65/03/35/572650335.db2.gz PQMNPMPDHSCSGA-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCC[C@H]([NH2+]CC)C1 ZINC000085070987 572651837 /nfs/dbraw/zinc/65/18/37/572651837.db2.gz PQMNPMPDHSCSGA-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000085070989 572652133 /nfs/dbraw/zinc/65/21/33/572652133.db2.gz PQMNPMPDHSCSGA-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCC[C@@H]([NH2+]CC)C1 ZINC000085070991 572652354 /nfs/dbraw/zinc/65/23/54/572652354.db2.gz PQMNPMPDHSCSGA-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CCC[C@H](CCC)[NH2+]C ZINC000085071000 572652157 /nfs/dbraw/zinc/65/21/57/572652157.db2.gz CDABAUNSQUKBIP-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@@H](CCC)[NH2+]C ZINC000085071002 572651209 /nfs/dbraw/zinc/65/12/09/572651209.db2.gz CDABAUNSQUKBIP-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@H](CCC)[NH2+]CC ZINC000085071004 572650141 /nfs/dbraw/zinc/65/01/41/572650141.db2.gz ZMOMTOVJQHIQQF-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)CCC[C@@H](CCC)[NH2+]CC ZINC000085071007 572651303 /nfs/dbraw/zinc/65/13/03/572651303.db2.gz ZMOMTOVJQHIQQF-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@@H]1CCCC[C@H]([NH2+]C)C1 ZINC000085071012 572650254 /nfs/dbraw/zinc/65/02/54/572650254.db2.gz AISIMEDGKLVEGS-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCC[C@H]([NH2+]C)C1 ZINC000085071014 572651380 /nfs/dbraw/zinc/65/13/80/572651380.db2.gz AISIMEDGKLVEGS-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000085071016 572650834 /nfs/dbraw/zinc/65/08/34/572650834.db2.gz AISIMEDGKLVEGS-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]1CCCC[C@@H]([NH2+]C)C1 ZINC000085071019 572652034 /nfs/dbraw/zinc/65/20/34/572652034.db2.gz AISIMEDGKLVEGS-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CCC[C@H](CC)[NH2+]CC ZINC000085071041 572652338 /nfs/dbraw/zinc/65/23/38/572652338.db2.gz IANZEOVCOCRXMR-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@@H](CC)[NH2+]CC ZINC000085071044 572652988 /nfs/dbraw/zinc/65/29/88/572652988.db2.gz IANZEOVCOCRXMR-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)CCC[C@H](CC)[NH2+]CCC ZINC000085071045 572649896 /nfs/dbraw/zinc/64/98/96/572649896.db2.gz AVFRSZDVLGRDRS-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)CCC[C@@H](CC)[NH2+]CCC ZINC000085071047 572650558 /nfs/dbraw/zinc/65/05/58/572650558.db2.gz AVFRSZDVLGRDRS-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)CCC[C@H]([NH2+]CC)C(C)C ZINC000085071053 572652688 /nfs/dbraw/zinc/65/26/88/572652688.db2.gz YWCPCDVZRPNGDS-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CCC[C@@H]([NH2+]CC)C(C)C ZINC000085071055 572652276 /nfs/dbraw/zinc/65/22/76/572652276.db2.gz YWCPCDVZRPNGDS-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CCC[C@H]([NH2+]CC)C1CC1 ZINC000085071064 572650702 /nfs/dbraw/zinc/65/07/02/572650702.db2.gz VXFHFNWSNLYGGG-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CCC[C@@H]([NH2+]CC)C1CC1 ZINC000085071066 572651644 /nfs/dbraw/zinc/65/16/44/572651644.db2.gz VXFHFNWSNLYGGG-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CCC[C@H]([NH2+]C)C(C)(C)C ZINC000085071071 572651298 /nfs/dbraw/zinc/65/12/98/572651298.db2.gz GSPMWDCNFCOJAF-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CCC[C@@H]([NH2+]C)C(C)(C)C ZINC000085071073 572651601 /nfs/dbraw/zinc/65/16/01/572651601.db2.gz GSPMWDCNFCOJAF-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC[C@@H](C)C[NH2+]C(C)(C)C ZINC000085071109 572652084 /nfs/dbraw/zinc/65/20/84/572652084.db2.gz LDZVFQSWECKCAI-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC[C@H](C)C[NH2+]C(C)(C)C ZINC000085071111 572651032 /nfs/dbraw/zinc/65/10/32/572651032.db2.gz LDZVFQSWECKCAI-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC[C@@H](C)C[NH2+]CC(C)C ZINC000085071113 572650522 /nfs/dbraw/zinc/65/05/22/572650522.db2.gz AKAGECDDSNYBCK-CYBMUJFWSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)CC[C@H](C)C[NH2+]CC(C)C ZINC000085071115 572650404 /nfs/dbraw/zinc/65/04/04/572650404.db2.gz AKAGECDDSNYBCK-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)C[C@H](C)C[C@H](C)[NH2+]CCC ZINC000085071144 572649845 /nfs/dbraw/zinc/64/98/45/572649845.db2.gz HBPRDNDLBUCJED-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H](C)C[C@@H](C)[NH2+]CCC ZINC000085071146 572651460 /nfs/dbraw/zinc/65/14/60/572651460.db2.gz HBPRDNDLBUCJED-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000085071148 572650936 /nfs/dbraw/zinc/65/09/36/572650936.db2.gz HBPRDNDLBUCJED-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000085071151 572651323 /nfs/dbraw/zinc/65/13/23/572651323.db2.gz HBPRDNDLBUCJED-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC(C)(C)C[C@@H](C)[NH2+]CC ZINC000085071159 572652702 /nfs/dbraw/zinc/65/27/02/572652702.db2.gz GFOOZGAJLLLKAJ-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC(C)(C)C[C@H](C)[NH2+]CC ZINC000085071161 572650137 /nfs/dbraw/zinc/65/01/37/572650137.db2.gz GFOOZGAJLLLKAJ-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702400 572774046 /nfs/dbraw/zinc/77/40/46/572774046.db2.gz QNRVIUBBRLIERP-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702404 572775882 /nfs/dbraw/zinc/77/58/82/572775882.db2.gz QNRVIUBBRLIERP-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702481 572774114 /nfs/dbraw/zinc/77/41/14/572774114.db2.gz WMQBNTCIXWEHRN-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@]1(C(C)(C)C)CCC[NH2+]1 ZINC000085702485 572774932 /nfs/dbraw/zinc/77/49/32/572774932.db2.gz WMQBNTCIXWEHRN-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@]1(CC(C)C)CCC[NH2+]1 ZINC000085702931 572775335 /nfs/dbraw/zinc/77/53/35/572775335.db2.gz KDCPOCYWRBUXEG-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@]1(CC(C)C)CCC[NH2+]1 ZINC000085702935 572776515 /nfs/dbraw/zinc/77/65/15/572776515.db2.gz KDCPOCYWRBUXEG-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@]1(CC)CCCCC[NH2+]1 ZINC000085875305 572832274 /nfs/dbraw/zinc/83/22/74/572832274.db2.gz FHCDNHJLBVJIHZ-CYBMUJFWSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCCC[C@@]1(CC)CCCCC[NH2+]1 ZINC000085875451 572832821 /nfs/dbraw/zinc/83/28/21/572832821.db2.gz FHGFQOCHFKLPRV-ZDUSSCGKSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCC[C@@]1(CCC)CCCCC[NH2+]1 ZINC000085876057 572831399 /nfs/dbraw/zinc/83/13/99/572831399.db2.gz IBMGJFNSLPYBJH-ZDUSSCGKSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCC[C@]1(CCC)CCCCC[NH2+]1 ZINC000085876062 572831038 /nfs/dbraw/zinc/83/10/38/572831038.db2.gz IBMGJFNSLPYBJH-CYBMUJFWSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCC[C@@]1(C(C)C)CCCCC[NH2+]1 ZINC000085876522 572832478 /nfs/dbraw/zinc/83/24/78/572832478.db2.gz FCLCPDUPWKPDJE-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CCC)C1CCCCC1 ZINC000086026963 572845974 /nfs/dbraw/zinc/84/59/74/572845974.db2.gz AQULWURHSYWOLP-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H]([NH2+]CCC)C1CCCCC1 ZINC000086026971 572844996 /nfs/dbraw/zinc/84/49/96/572844996.db2.gz AQULWURHSYWOLP-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)C1CCCCCC1 ZINC000086057740 572849379 /nfs/dbraw/zinc/84/93/79/572849379.db2.gz UJZIUZMMIYMAAT-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)C1CCCCCC1 ZINC000086057741 572850090 /nfs/dbraw/zinc/85/00/90/572850090.db2.gz UJZIUZMMIYMAAT-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]([NH2+]CC)C1CCCCC1 ZINC000086060981 572850685 /nfs/dbraw/zinc/85/06/85/572850685.db2.gz ISRFJXUHNYLOSU-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CC)C1CCCCC1 ZINC000086060983 572851536 /nfs/dbraw/zinc/85/15/36/572851536.db2.gz ISRFJXUHNYLOSU-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)C1CCCC1 ZINC000086061074 572852964 /nfs/dbraw/zinc/85/29/64/572852964.db2.gz XLPDAJZGDZZTGP-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H](CCC(C)C)[NH2+]CCC ZINC000086061196 572852693 /nfs/dbraw/zinc/85/26/93/572852693.db2.gz DDADAZLKBLBKLA-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H](CC(C)(C)C)[NH2+]CCC ZINC000086061715 572850995 /nfs/dbraw/zinc/85/09/95/572850995.db2.gz FHBZTRKZOREVTH-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H](CC(C)(C)C)[NH2+]CCC ZINC000086061716 572850897 /nfs/dbraw/zinc/85/08/97/572850897.db2.gz FHBZTRKZOREVTH-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)C1CCCCCC1 ZINC000086062231 572851785 /nfs/dbraw/zinc/85/17/85/572851785.db2.gz IEQUTWNISKUOKC-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)C1CCCCCC1 ZINC000086062232 572851289 /nfs/dbraw/zinc/85/12/89/572851289.db2.gz IEQUTWNISKUOKC-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@]1(CCC)CCCCC[NH2+]1 ZINC000086063031 572853369 /nfs/dbraw/zinc/85/33/69/572853369.db2.gz RAVQBKHORKLIIW-CYBMUJFWSA-N 1 0 195.350 3.655 10 30 AHEERO C=C(C)C[C@]1(CCC)CCCCC[NH2+]1 ZINC000086063033 572852703 /nfs/dbraw/zinc/85/27/03/572852703.db2.gz RAVQBKHORKLIIW-ZDUSSCGKSA-N 1 0 195.350 3.655 10 30 AHEERO C=C(C)C[C@]1(C(C)C)CCCCC[NH2+]1 ZINC000086063044 573243832 /nfs/dbraw/zinc/24/38/32/573243832.db2.gz XAIBVDMLMNVILN-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCCC[C@H]1[NH2+]CCC ZINC000086063154 572851002 /nfs/dbraw/zinc/85/10/02/572851002.db2.gz JKMOIIOMKBUINB-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCCC[C@@H]1[NH2+]CCC ZINC000086063156 572851676 /nfs/dbraw/zinc/85/16/76/572851676.db2.gz JKMOIIOMKBUINB-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCCC[C@@H]1[NH2+]CCC ZINC000086063161 572852031 /nfs/dbraw/zinc/85/20/31/572852031.db2.gz JKMOIIOMKBUINB-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCCCC[C@H]1[NH2+]CC ZINC000086063205 572852440 /nfs/dbraw/zinc/85/24/40/572852440.db2.gz QLZOSJRBRBCVDT-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCCCC[C@@H]1[NH2+]CC ZINC000086063208 572850779 /nfs/dbraw/zinc/85/07/79/572850779.db2.gz QLZOSJRBRBCVDT-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCCCC[C@H]1[NH2+]CC ZINC000086063211 572851569 /nfs/dbraw/zinc/85/15/69/572851569.db2.gz QLZOSJRBRBCVDT-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCCCC[C@@H]1[NH2+]CC ZINC000086063214 572852825 /nfs/dbraw/zinc/85/28/25/572852825.db2.gz QLZOSJRBRBCVDT-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000086063744 572851532 /nfs/dbraw/zinc/85/15/32/572851532.db2.gz JIHDWRKKDDNMJW-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000086063748 572852803 /nfs/dbraw/zinc/85/28/03/572852803.db2.gz JIHDWRKKDDNMJW-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000086063749 572852912 /nfs/dbraw/zinc/85/29/12/572852912.db2.gz JIHDWRKKDDNMJW-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000086063752 572851906 /nfs/dbraw/zinc/85/19/06/572851906.db2.gz JIHDWRKKDDNMJW-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CCC[C@H](CCC)[NH2+]CC ZINC000086063762 572853039 /nfs/dbraw/zinc/85/30/39/572853039.db2.gz LPFUQSWCDOMKQJ-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)CCC[C@H](CCC)[NH2+]CCC ZINC000086063768 572853255 /nfs/dbraw/zinc/85/32/55/572853255.db2.gz BPPBEOBAEHFGTJ-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)CCC[C@@H](CCC)[NH2+]CCC ZINC000086063772 572852086 /nfs/dbraw/zinc/85/20/86/572852086.db2.gz BPPBEOBAEHFGTJ-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000086063787 572852367 /nfs/dbraw/zinc/85/23/67/572852367.db2.gz CMBLTFQMOVADEZ-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000086063789 572851157 /nfs/dbraw/zinc/85/11/57/572851157.db2.gz CMBLTFQMOVADEZ-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCCC[C@@H]([NH2+]CC)C1 ZINC000086063791 572851694 /nfs/dbraw/zinc/85/16/94/572851694.db2.gz CMBLTFQMOVADEZ-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]1CCCC[C@H]([NH2+]CC)C1 ZINC000086063793 572851750 /nfs/dbraw/zinc/85/17/50/572851750.db2.gz CMBLTFQMOVADEZ-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CCC[C@H](CC)[NH2+]CCC ZINC000086063819 572851018 /nfs/dbraw/zinc/85/10/18/572851018.db2.gz CCADKJCEVPKAPJ-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)CCC[C@H]([NH2+]CCC)C(C)C ZINC000086063837 572851862 /nfs/dbraw/zinc/85/18/62/572851862.db2.gz HGUYDAKLHNNNEE-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CCC[C@@H]([NH2+]CCC)C(C)C ZINC000086063841 572851689 /nfs/dbraw/zinc/85/16/89/572851689.db2.gz HGUYDAKLHNNNEE-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CCC[C@H]([NH2+]CCC)C1CC1 ZINC000086063855 572852389 /nfs/dbraw/zinc/85/23/89/572852389.db2.gz ZKIVRVFUOFYGOD-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CCC[C@@H]([NH2+]CCC)C1CC1 ZINC000086063857 572851162 /nfs/dbraw/zinc/85/11/62/572851162.db2.gz ZKIVRVFUOFYGOD-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CCC[C@H]([NH2+]CC)C(C)(C)C ZINC000086063869 572853201 /nfs/dbraw/zinc/85/32/01/572853201.db2.gz GKECPEPPDMZRAN-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CCC[C@@H]([NH2+]CC)C(C)(C)C ZINC000086063870 572851611 /nfs/dbraw/zinc/85/16/11/572851611.db2.gz GKECPEPPDMZRAN-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC(C)(C)C[C@@H](C)[NH2+]CCC ZINC000086064014 572852117 /nfs/dbraw/zinc/85/21/17/572852117.db2.gz YOTJVHGLASYUPM-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CCCC)[NH2+]CC ZINC000086315427 572917233 /nfs/dbraw/zinc/91/72/33/572917233.db2.gz DYUKEMVGURGRHO-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@H](CCCC)[NH2+]CC ZINC000086315464 572915423 /nfs/dbraw/zinc/91/54/23/572915423.db2.gz AMWGMCZVALSJNA-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@H](CCCC)[NH2+]CCC ZINC000086315498 572915860 /nfs/dbraw/zinc/91/58/60/572915860.db2.gz RNLCBTADCJSCRH-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@@H](CCCC)[NH2+]CCC ZINC000086315499 572917248 /nfs/dbraw/zinc/91/72/48/572917248.db2.gz RNLCBTADCJSCRH-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@H](CCCC)[NH2+]CCC ZINC000086315552 572916902 /nfs/dbraw/zinc/91/69/02/572916902.db2.gz VPRWQKNCFYFZBH-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H](CCCC)[NH2+]CCC ZINC000086315553 572917217 /nfs/dbraw/zinc/91/72/17/572917217.db2.gz VPRWQKNCFYFZBH-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@@H](CCCC)[NH2+]CCC ZINC000086315572 572917092 /nfs/dbraw/zinc/91/70/92/572917092.db2.gz JAHLWRXFIFTQSD-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@H](CCCC)[NH2+]CCC ZINC000086315573 572916710 /nfs/dbraw/zinc/91/67/10/572916710.db2.gz DKUDBZXJCRKFGP-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@@H](CCCC)[NH2+]CCC ZINC000086315574 572916959 /nfs/dbraw/zinc/91/69/59/572916959.db2.gz DKUDBZXJCRKFGP-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@H](CCCC)[NH2+]C(C)C ZINC000086315615 572915574 /nfs/dbraw/zinc/91/55/74/572915574.db2.gz KDRLGLZVAQELHO-LBPRGKRZSA-N 1 0 183.339 3.509 10 30 AHEERO C=C(C)C[C@@H](CCCC)[NH2+]C(C)C ZINC000086315616 572916678 /nfs/dbraw/zinc/91/66/78/572916678.db2.gz KDRLGLZVAQELHO-GFCCVEGCSA-N 1 0 183.339 3.509 10 30 AHEERO C=CCC[C@@H](CCCC)[NH2+]C(C)C ZINC000086322580 572918961 /nfs/dbraw/zinc/91/89/61/572918961.db2.gz KDMVCLHODPBVGP-LBPRGKRZSA-N 1 0 183.339 3.509 10 30 AHEERO C=C(CC)C[C@H](CCCC)[NH2+]C(C)C ZINC000086322584 572919022 /nfs/dbraw/zinc/91/90/22/572919022.db2.gz KCQLTSBQRRMDNU-ZDUSSCGKSA-N 1 0 197.366 3.900 10 30 AHEERO C=C(CC)C[C@@H](CCCC)[NH2+]C(C)C ZINC000086322587 573367475 /nfs/dbraw/zinc/36/74/75/573367475.db2.gz KCQLTSBQRRMDNU-CYBMUJFWSA-N 1 0 197.366 3.900 10 30 AHEERO C=C(CC)C/C=C/CC[NH2+]C(C)(C)C ZINC000086571988 572957834 /nfs/dbraw/zinc/95/78/34/572957834.db2.gz QDCNLGSOSCXCJG-BQYQJAHWSA-N 1 0 195.350 3.677 10 30 AHEERO C=CCCC/C=C/CC[NH2+]CC(C)C ZINC000086572048 572957021 /nfs/dbraw/zinc/95/70/21/572957021.db2.gz SOUDCHVTGOLLOU-CMDGGOBGSA-N 1 0 195.350 3.535 10 30 AHEERO C=CCCC/C(C)=C\CC[NH2+]CCC ZINC000086572635 572956975 /nfs/dbraw/zinc/95/69/75/572956975.db2.gz AFCHSOGEWZJFAK-RAXLEYEMSA-N 1 0 195.350 3.679 10 30 AHEERO C=C(C)C/C(C)=C/CC[NH2+]C(C)(C)C ZINC000086572925 572956782 /nfs/dbraw/zinc/95/67/82/572956782.db2.gz AGMDKEXESHOHAN-XYOKQWHBSA-N 1 0 195.350 3.677 10 30 AHEERO C=C(C)C[NH2+]CC(C)(C)CCCCC ZINC000087399444 572468285 /nfs/dbraw/zinc/46/82/85/572468285.db2.gz BUHHTOYVFQOLNQ-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCC[NH2+]CC(C)(C)CCCCC ZINC000087399469 572469041 /nfs/dbraw/zinc/46/90/41/572469041.db2.gz ZVRHHEIEIFKRRA-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCC[C@H]([NH2+]CCC)C1(C)CC1 ZINC000087553155 572577559 /nfs/dbraw/zinc/57/75/59/572577559.db2.gz LWSZJEUUYHVJGU-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CCC)C1(C)CC1 ZINC000087553389 572575911 /nfs/dbraw/zinc/57/59/11/572575911.db2.gz DEJSKARZUUCSOK-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CCC)C1(C)CC1 ZINC000087553391 572577442 /nfs/dbraw/zinc/57/74/42/572577442.db2.gz DEJSKARZUUCSOK-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H](CC1CC1)[NH2+]CCC ZINC000087583059 572579991 /nfs/dbraw/zinc/57/99/91/572579991.db2.gz YQNCBPZAEJTQFS-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H](CC1CC1)[NH2+]CCC ZINC000087583061 572579143 /nfs/dbraw/zinc/57/91/43/572579143.db2.gz YQNCBPZAEJTQFS-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H](CC1CC1)[NH2+]CCC ZINC000087583177 572581045 /nfs/dbraw/zinc/58/10/45/572581045.db2.gz CLDYRNFXRVDWNS-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H](CC1CC1)[NH2+]CCC ZINC000087583179 572578604 /nfs/dbraw/zinc/57/86/04/572578604.db2.gz CLDYRNFXRVDWNS-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH3+])C1CCCCCCC1 ZINC000087690385 572682325 /nfs/dbraw/zinc/68/23/25/572682325.db2.gz VMIWMGLYCGMFRC-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@@H]([NH3+])C1CCCCCCC1 ZINC000087690386 572682186 /nfs/dbraw/zinc/68/21/86/572682186.db2.gz VMIWMGLYCGMFRC-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CC[C@H]([NH2+]C)C1CCCCCCC1 ZINC000087690457 572680422 /nfs/dbraw/zinc/68/04/22/572680422.db2.gz UTVREWKEEVOKKH-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]([NH2+]C)C1CCCCCCC1 ZINC000087690458 572679954 /nfs/dbraw/zinc/67/99/54/572679954.db2.gz UTVREWKEEVOKKH-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H]([NH2+]CC)C1CCCCCCC1 ZINC000087690544 572682944 /nfs/dbraw/zinc/68/29/44/572682944.db2.gz HSEAUOZISNXRKJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H]([NH2+]CC)C1CCCCCCC1 ZINC000087690545 572682660 /nfs/dbraw/zinc/68/26/60/572682660.db2.gz HSEAUOZISNXRKJ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H](C)CC[NH2+]CC(C)C ZINC000087950934 572766725 /nfs/dbraw/zinc/76/67/25/572766725.db2.gz JUGVPUCVHYZITC-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCC[C@@H](C)CC[NH2+]CC(C)C ZINC000087950935 572766175 /nfs/dbraw/zinc/76/61/75/572766175.db2.gz JUGVPUCVHYZITC-CYBMUJFWSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)C[C@H](C)[C@H](C)C[NH2+]CCC ZINC000087952507 572767199 /nfs/dbraw/zinc/76/71/99/572767199.db2.gz PPWNWRRMHFMJLB-QWHCGFSZSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)C[C@H](C)[C@@H](C)C[NH2+]CCC ZINC000087952508 572765749 /nfs/dbraw/zinc/76/57/49/572765749.db2.gz PPWNWRRMHFMJLB-STQMWFEESA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)C[C@@H](C)[C@H](C)C[NH2+]CCC ZINC000087952509 572765228 /nfs/dbraw/zinc/76/52/28/572765228.db2.gz PPWNWRRMHFMJLB-CHWSQXEVSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCC[C@H](C)[C@H](C)C[NH2+]CCC ZINC000087952535 572765182 /nfs/dbraw/zinc/76/51/82/572765182.db2.gz DDFCSUILNUXVAW-QWHCGFSZSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCC[C@@H](C)[C@@H](C)C[NH2+]CCC ZINC000087952538 572766887 /nfs/dbraw/zinc/76/68/87/572766887.db2.gz DDFCSUILNUXVAW-OLZOCXBDSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(CC)C[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952863 572767935 /nfs/dbraw/zinc/76/79/35/572767935.db2.gz MYGWUIMDAOOMTI-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952864 572769244 /nfs/dbraw/zinc/76/92/44/572769244.db2.gz MYGWUIMDAOOMTI-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952865 572769136 /nfs/dbraw/zinc/76/91/36/572769136.db2.gz MYGWUIMDAOOMTI-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@H](C)[C@H](C)C[NH2+]C(C)C ZINC000087952891 572770047 /nfs/dbraw/zinc/77/00/47/572770047.db2.gz FCNSWFFVUMQJAZ-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952892 572769633 /nfs/dbraw/zinc/76/96/33/572769633.db2.gz FCNSWFFVUMQJAZ-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@@H](C)[C@@H](C)C[NH2+]C(C)C ZINC000087952894 572770177 /nfs/dbraw/zinc/77/01/77/572770177.db2.gz FCNSWFFVUMQJAZ-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C ZINC000087953620 572768012 /nfs/dbraw/zinc/76/80/12/572768012.db2.gz MHQGUBBFNYDOSG-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H](C)[C@H](C)C[NH2+]C(C)(C)C ZINC000087953622 572769213 /nfs/dbraw/zinc/76/92/13/572769213.db2.gz MHQGUBBFNYDOSG-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)CC(C)(C)CC[NH2+]CCC ZINC000087957306 572773613 /nfs/dbraw/zinc/77/36/13/572773613.db2.gz AVTDULIBUKHNTM-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCCC(C)(C)CC[NH2+]CCC ZINC000087957312 572774143 /nfs/dbraw/zinc/77/41/43/572774143.db2.gz OSVXBDPAKMCQPR-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=C(CC)CC(C)(C)CC[NH2+]C(C)C ZINC000087957392 572775988 /nfs/dbraw/zinc/77/59/88/572775988.db2.gz IWWJYBBOUSMGQG-UHFFFAOYSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC(C)(C)CC[NH2+]C(C)C ZINC000087957398 572774277 /nfs/dbraw/zinc/77/42/77/572774277.db2.gz MUNCTWJUZWAMKZ-UHFFFAOYSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)CC(C)(C)CC[NH2+]C1CC1 ZINC000087957477 572774741 /nfs/dbraw/zinc/77/47/41/572774741.db2.gz MDCKJURHYYDNKT-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC(C)(C)CC[NH2+]C(C)(C)C ZINC000087957566 572775150 /nfs/dbraw/zinc/77/51/50/572775150.db2.gz QXMSFXXOIYSKQG-UHFFFAOYSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC(C)(C)CC[NH2+]CC(C)C ZINC000087957618 572775959 /nfs/dbraw/zinc/77/59/59/572775959.db2.gz NQAVHJIYQHMABV-UHFFFAOYSA-N 1 0 197.366 3.615 10 30 AHEERO CCCCCCCC[NH2+]CCC1CC1 ZINC000091328255 572651734 /nfs/dbraw/zinc/65/17/34/572651734.db2.gz RKAJPRIRLNBDCF-UHFFFAOYSA-N 1 0 197.366 3.737 10 30 AHEERO C=C(C)C[N+](CCC)(CCC)CCC ZINC000096031798 325612844 /nfs/dbraw/zinc/61/28/44/325612844.db2.gz DINHAJYHCMRUDK-UHFFFAOYSA-N 1 0 198.374 3.609 10 30 AHEERO CCCCCCCC[NH2+]C(C)(C)C ZINC000100026391 573764756 /nfs/dbraw/zinc/76/47/56/573764756.db2.gz UOXPORXDWKPODV-UHFFFAOYSA-N 1 0 185.355 3.735 10 30 AHEERO CCC/C(CC)=[NH+]\C1CCCCC1 ZINC000100280635 573330969 /nfs/dbraw/zinc/33/09/69/573330969.db2.gz ZHQFIEOXYFLQDR-QBFSEMIESA-N 1 0 181.323 3.970 10 30 AHEERO CCCCCCC[NH2+]CCC(C)C ZINC000101414519 166851781 /nfs/dbraw/zinc/85/17/81/166851781.db2.gz WIDJURINCREOLK-UHFFFAOYSA-N 1 0 185.355 3.593 10 30 AHEERO CCCCCCCC[NH2+]CC(C)C ZINC000101759822 171145802 /nfs/dbraw/zinc/14/58/02/171145802.db2.gz OLFPTXBHWKVNEL-UHFFFAOYSA-N 1 0 185.355 3.593 10 30 AHEERO CCCCCCCC[NH2+][C@@H](C)C(C)C ZINC000101761267 171162675 /nfs/dbraw/zinc/16/26/75/171162675.db2.gz SCPKQYIPNDCBDT-ZDUSSCGKSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCCC[NH2+][C@H](C)C(C)C ZINC000101761268 171162788 /nfs/dbraw/zinc/16/27/88/171162788.db2.gz SCPKQYIPNDCBDT-CYBMUJFWSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[NH2+]C(C)(C)CC ZINC000102154539 571701806 /nfs/dbraw/zinc/70/18/06/571701806.db2.gz XVXWJHFSVASAHG-UHFFFAOYSA-N 1 0 185.355 3.735 10 30 AHEERO C=CC[NH2+]CCCCCCCCC ZINC000103211452 166188044 /nfs/dbraw/zinc/18/80/44/166188044.db2.gz WVVHVLAHSOWNND-UHFFFAOYSA-N 1 0 183.339 3.513 10 30 AHEERO CCCCCCCC[C@@H](C)[NH2+]CC ZINC000103295106 166851138 /nfs/dbraw/zinc/85/11/38/166851138.db2.gz OSKJNSSJYQLRBD-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[C@@H](CCC)[NH2+]C ZINC000103295181 571705151 /nfs/dbraw/zinc/70/51/51/571705151.db2.gz KBSZZEWTCVVNLB-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[C@H](CCC)[NH2+]C ZINC000103295184 571706082 /nfs/dbraw/zinc/70/60/82/571706082.db2.gz KBSZZEWTCVVNLB-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[C@@H](CC)[NH2+]C ZINC000103295577 571708195 /nfs/dbraw/zinc/70/81/95/571708195.db2.gz BQDOXAWXXHOKOY-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[C@H](CC)[NH2+]C ZINC000103295581 571707128 /nfs/dbraw/zinc/70/71/28/571707128.db2.gz BQDOXAWXXHOKOY-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[C@@H](CC)[NH2+]CC ZINC000103295678 571707571 /nfs/dbraw/zinc/70/75/71/571707571.db2.gz LAMJEYASVWTGEF-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCC[C@H](CC)[NH2+]CC ZINC000103295681 571707558 /nfs/dbraw/zinc/70/75/58/571707558.db2.gz LAMJEYASVWTGEF-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[C@H]([NH2+]C)C(C)C ZINC000103295833 571707928 /nfs/dbraw/zinc/70/79/28/571707928.db2.gz DVFRWKFFOCPVFJ-ZDUSSCGKSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCCC[C@@H]([NH2+]C)C(C)C ZINC000103295835 571704910 /nfs/dbraw/zinc/70/49/10/571704910.db2.gz DVFRWKFFOCPVFJ-CYBMUJFWSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[C@H]([NH2+]C)C(C)C ZINC000103295839 571704953 /nfs/dbraw/zinc/70/49/53/571704953.db2.gz LDULTKHLWDMRAU-LBPRGKRZSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@@H]([NH2+]C)C(C)C ZINC000103295841 571705537 /nfs/dbraw/zinc/70/55/37/571705537.db2.gz LDULTKHLWDMRAU-GFCCVEGCSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@H]([NH2+]CC)C(C)C ZINC000103295915 571708758 /nfs/dbraw/zinc/70/87/58/571708758.db2.gz GXIXSJBJEBYKDU-ZDUSSCGKSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[C@@H]([NH2+]CC)C(C)C ZINC000103295919 571705103 /nfs/dbraw/zinc/70/51/03/571705103.db2.gz GXIXSJBJEBYKDU-CYBMUJFWSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[C@@H](C)[C@@H](C)[NH2+]C ZINC000103296069 571705523 /nfs/dbraw/zinc/70/55/23/571705523.db2.gz RVIFNUZCQCLFSR-VXGBXAGGSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@H](C)[C@@H](C)[NH2+]C ZINC000103296073 571708185 /nfs/dbraw/zinc/70/81/85/571708185.db2.gz RVIFNUZCQCLFSR-NWDGAFQWSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@@H](C)[C@H](C)[NH2+]C ZINC000103296078 571708078 /nfs/dbraw/zinc/70/80/78/571708078.db2.gz RVIFNUZCQCLFSR-NEPJUHHUSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@H](C)[C@H](C)[NH2+]C ZINC000103296082 571708198 /nfs/dbraw/zinc/70/81/98/571708198.db2.gz RVIFNUZCQCLFSR-RYUDHWBXSA-N 1 0 185.355 3.591 10 30 AHEERO CCCCCCC[C@@H](CC)[C@H](C)[NH3+] ZINC000103334706 166851272 /nfs/dbraw/zinc/85/12/72/166851272.db2.gz PPYWWWCLKMNCRU-NWDGAFQWSA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCCCC[C@@H](C)[NH2+]C ZINC000103467595 171164463 /nfs/dbraw/zinc/16/44/63/171164463.db2.gz DOHUZZRUQQKEBR-GFCCVEGCSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCCC[C@H](C)[NH2+]C ZINC000103467597 171164349 /nfs/dbraw/zinc/16/43/49/171164349.db2.gz DOHUZZRUQQKEBR-LBPRGKRZSA-N 1 0 185.355 3.735 10 30 AHEERO CCCCCCCC[C@H](C)[C@H](C)[NH3+] ZINC000104311409 166850232 /nfs/dbraw/zinc/85/02/32/166850232.db2.gz VMVZIHAZZIOZLT-RYUDHWBXSA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCCCC[C@H]([NH3+])CC ZINC000104630635 571707355 /nfs/dbraw/zinc/70/73/55/571707355.db2.gz IUGWGXFPZIEWAO-GFCCVEGCSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCCCC[C@@H]([NH3+])CC ZINC000104630639 571707595 /nfs/dbraw/zinc/70/75/95/571707595.db2.gz IUGWGXFPZIEWAO-LBPRGKRZSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCC[C@H](C)[C@@H](C)[NH2+]CC ZINC000104681401 166850200 /nfs/dbraw/zinc/85/02/00/166850200.db2.gz HDOHOIWXNTVOBQ-QWHCGFSZSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[NH2+][C@@H](C)[C@@H](C)CC ZINC000104780762 573229762 /nfs/dbraw/zinc/22/97/62/573229762.db2.gz OEILRYGGWRHJCI-STQMWFEESA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[NH2+]CC(CC)CC ZINC000106191208 573291057 /nfs/dbraw/zinc/29/10/57/573291057.db2.gz JTIASLYRUNRQLC-UHFFFAOYSA-N 1 0 199.382 3.983 10 30 AHEERO CCCCCCCC[C@H]([NH3+])CCC ZINC000106565624 571708888 /nfs/dbraw/zinc/70/88/88/571708888.db2.gz VMQZMLUHQGRJER-GFCCVEGCSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCCC[C@@H]([NH3+])CCC ZINC000106565626 571706838 /nfs/dbraw/zinc/70/68/38/571706838.db2.gz VMQZMLUHQGRJER-LBPRGKRZSA-N 1 0 185.355 3.864 10 30 AHEERO CCCCCCCC[C@H]([NH3+])C(C)C ZINC000106565747 571707255 /nfs/dbraw/zinc/70/72/55/571707255.db2.gz SLLPXDXIAZIGOA-LBPRGKRZSA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCCC[C@@H]([NH3+])C(C)C ZINC000106565748 571708701 /nfs/dbraw/zinc/70/87/01/571708701.db2.gz SLLPXDXIAZIGOA-GFCCVEGCSA-N 1 0 185.355 3.720 10 30 AHEERO CCCCCCC[C@H](C[NH3+])C(C)C ZINC000107214587 573412434 /nfs/dbraw/zinc/41/24/34/573412434.db2.gz IOFMKCBEHBEZSR-GFCCVEGCSA-N 1 0 185.355 3.578 10 30 AHEERO CCCCCCC[C@@H](CC)C[NH2+]C ZINC000107217274 573412738 /nfs/dbraw/zinc/41/27/38/573412738.db2.gz VGKVNWDZOZRPHG-GFCCVEGCSA-N 1 0 185.355 3.593 10 30 AHEERO CCCCCCC[C@H]([NH2+]C)C(C)(C)C ZINC000107948089 571709580 /nfs/dbraw/zinc/70/95/80/571709580.db2.gz CPODUYNDWWHKGW-LBPRGKRZSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[C@@H]([NH2+]C)C(C)(C)C ZINC000107948093 571705718 /nfs/dbraw/zinc/70/57/18/571705718.db2.gz CPODUYNDWWHKGW-GFCCVEGCSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCCC[NH2+]CC(C)(C)C ZINC000109313478 573828768 /nfs/dbraw/zinc/82/87/68/573828768.db2.gz UPPMHUCQJWJHJA-UHFFFAOYSA-N 1 0 199.382 3.983 10 30 AHEERO CCCCCCCC1(C[NH3+])CCCC1 ZINC000110193849 171165566 /nfs/dbraw/zinc/16/55/66/171165566.db2.gz VELNZDODJLAUQZ-UHFFFAOYSA-N 1 0 197.366 3.866 10 30 AHEERO CCCCCCC[C@H]([NH2+]CC)C1CC1 ZINC000111759313 574026243 /nfs/dbraw/zinc/02/62/43/574026243.db2.gz YTICVBOFJPRMKG-ZDUSSCGKSA-N 1 0 197.366 3.735 10 30 AHEERO CCCCCCCC1(C)CC[NH2+]CC1 ZINC000113071540 574045402 /nfs/dbraw/zinc/04/54/02/574045402.db2.gz FAJCDJJMOLMBRR-UHFFFAOYSA-N 1 0 197.366 3.737 10 30 AHEERO CCCCCCC[C@@H]1CC[C@H]([NH3+])[C@@H]1C ZINC000113755473 573027294 /nfs/dbraw/zinc/02/72/94/573027294.db2.gz VGQGCHKFIXUQJJ-UPJWGTAASA-N 1 0 197.366 3.720 10 30 AHEERO CCCCCCC[C@](C)([NH3+])CCC ZINC000114406519 573076833 /nfs/dbraw/zinc/07/68/33/573076833.db2.gz CEWDXIYCLPFWCV-GFCCVEGCSA-N 1 0 185.355 3.864 10 30 AHEERO C=CCCCCC([NH3+])CCCCC=C ZINC000115634394 572626188 /nfs/dbraw/zinc/62/61/88/572626188.db2.gz BIITUHGHGXXKPJ-UHFFFAOYSA-N 1 0 195.350 3.807 10 30 AHEERO CCCCCCCC[C@]1(C)CCC[NH2+]1 ZINC000117719963 572759479 /nfs/dbraw/zinc/75/94/79/572759479.db2.gz VGVHCDZXFQTQBE-CYBMUJFWSA-N 1 0 197.366 3.879 10 30 AHEERO CCCCCCCC[C@@]1(C)CCC[NH2+]1 ZINC000117719966 572758625 /nfs/dbraw/zinc/75/86/25/572758625.db2.gz VGVHCDZXFQTQBE-ZDUSSCGKSA-N 1 0 197.366 3.879 10 30 AHEERO CCCCCCC[C@H](C)[C@@H]([NH3+])C(C)C ZINC000117952112 573376447 /nfs/dbraw/zinc/37/64/47/573376447.db2.gz VLJRRVFYZCRUFU-STQMWFEESA-N 1 0 199.382 3.966 10 30 AHEERO CCCCCCC[C@@H]([NH3+])[C@H](C)C(C)C ZINC000124610884 573547928 /nfs/dbraw/zinc/54/79/28/573547928.db2.gz DDBNESGOODANBS-CHWSQXEVSA-N 1 0 199.382 3.966 10 30 AHEERO CCCCCC/C=C1\CCC[C@@H]([NH3+])C1 ZINC000124764042 573633156 /nfs/dbraw/zinc/63/31/56/573633156.db2.gz YPDHSROJODZPLP-YQCJOKCJSA-N 1 0 195.350 3.785 10 30 AHEERO C/C=C/CC[NH2+]CCCCCCC ZINC000126177748 573402747 /nfs/dbraw/zinc/40/27/47/573402747.db2.gz YYRLWQHEHPKXQV-GQCTYLIASA-N 1 0 183.339 3.513 10 30 AHEERO C=CC[C@H](CCCCC)[NH2+]CCC ZINC000126192282 573423749 /nfs/dbraw/zinc/42/37/49/573423749.db2.gz QLYZDIVREVLMTN-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CC[C@@H](CCCCC)[NH2+]CCC ZINC000126192531 573423301 /nfs/dbraw/zinc/42/33/01/573423301.db2.gz QLYZDIVREVLMTN-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CC[C@@H]([NH3+])CCCCCCCC ZINC000126214128 573436310 /nfs/dbraw/zinc/43/63/10/573436310.db2.gz XCIGUOCYKMJLQW-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=CC[C@H]([NH3+])CCCCCCCC ZINC000126214322 573437099 /nfs/dbraw/zinc/43/70/99/573437099.db2.gz XCIGUOCYKMJLQW-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO CCCCCCCC[C@H]([NH3+])C1(C)CC1 ZINC000126230817 573439948 /nfs/dbraw/zinc/43/99/48/573439948.db2.gz YLJJNNJYZMWMMK-LBPRGKRZSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCCC[C@@H]([NH3+])C1(C)CC1 ZINC000126231058 573437055 /nfs/dbraw/zinc/43/70/55/573437055.db2.gz YLJJNNJYZMWMMK-GFCCVEGCSA-N 1 0 197.366 3.864 10 30 AHEERO C=CCC[C@H](C)[NH2+][C@H](C)C(CC)CC ZINC000126675540 573623474 /nfs/dbraw/zinc/62/34/74/573623474.db2.gz SYAXZYDGWCQIII-NWDGAFQWSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000126675809 573622709 /nfs/dbraw/zinc/62/27/09/573622709.db2.gz SYAXZYDGWCQIII-RYUDHWBXSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@@H](C)[NH2+][C@H](C)C(CC)CC ZINC000126676013 573621211 /nfs/dbraw/zinc/62/12/11/573621211.db2.gz SYAXZYDGWCQIII-VXGBXAGGSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)C(CC)CC ZINC000126676254 573623049 /nfs/dbraw/zinc/62/30/49/573623049.db2.gz SYAXZYDGWCQIII-NEPJUHHUSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](C)[NH2+]CC1CCCCC1 ZINC000126709602 573639119 /nfs/dbraw/zinc/63/91/19/573639119.db2.gz DDFKIRIXPXQFKR-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC000126709830 573638890 /nfs/dbraw/zinc/63/88/90/573638890.db2.gz DDFKIRIXPXQFKR-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](C)[NH2+]C1CCC(C)CC1 ZINC000126720898 573690206 /nfs/dbraw/zinc/69/02/06/573690206.db2.gz IHWZZZXQJUAAKR-OTTFEQOBSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC000126739588 573662540 /nfs/dbraw/zinc/66/25/40/573662540.db2.gz OMDKPDSJTXEHIA-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000126837241 573700759 /nfs/dbraw/zinc/70/07/59/573700759.db2.gz CYDKEBSRGCMLQE-AAEUAGOBSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](C)[NH2+][C@H](CC)CC1CC1 ZINC000126837471 573698169 /nfs/dbraw/zinc/69/81/69/573698169.db2.gz CYDKEBSRGCMLQE-WCQYABFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+][C@@H](CC)CC1CC1 ZINC000126837707 573697418 /nfs/dbraw/zinc/69/74/18/573697418.db2.gz CYDKEBSRGCMLQE-YPMHNXCESA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](C)[NH2+]CCCCC(C)C ZINC000126848595 573696325 /nfs/dbraw/zinc/69/63/25/573696325.db2.gz JMYJCWSYADSQSE-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](C)[NH2+]CCCCC(C)C ZINC000126848839 573695348 /nfs/dbraw/zinc/69/53/48/573695348.db2.gz JMYJCWSYADSQSE-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO CCCCCCCCNC(=[NH2+])CCC ZINC000126935673 573721674 /nfs/dbraw/zinc/72/16/74/573721674.db2.gz RWBKCWWLDWRHEG-UHFFFAOYSA-N 1 0 198.354 3.714 10 30 AHEERO CCCCCCCC[C@H]([NH3+])CC1CC1 ZINC000127165374 573781485 /nfs/dbraw/zinc/78/14/85/573781485.db2.gz COMMIGROXNTGIC-ZDUSSCGKSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCCC[C@@H]([NH3+])CC1CC1 ZINC000127165594 573782632 /nfs/dbraw/zinc/78/26/32/573782632.db2.gz COMMIGROXNTGIC-CYBMUJFWSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC/C=C/CC[NH2+]C ZINC000127695056 573955426 /nfs/dbraw/zinc/95/54/26/573955426.db2.gz KLJKFDXWBMLTNP-MDZDMXLPSA-N 1 0 183.339 3.513 10 30 AHEERO CCCCCCC[C@H]([NH3+])CC1CCC1 ZINC000128480560 573022357 /nfs/dbraw/zinc/02/23/57/573022357.db2.gz QOOJERIUPFTUFG-ZDUSSCGKSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@@H]([NH3+])CC1CCC1 ZINC000128480793 573026749 /nfs/dbraw/zinc/02/67/49/573026749.db2.gz QOOJERIUPFTUFG-CYBMUJFWSA-N 1 0 197.366 3.864 10 30 AHEERO C=CC[C@@H](C[C@@H](CC)CCCC)[NH2+]C ZINC000128551162 573070268 /nfs/dbraw/zinc/07/02/68/573070268.db2.gz RGSZOGICWLUNIP-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H](CC1CCCCC1)[NH2+]CC ZINC000128567169 573073917 /nfs/dbraw/zinc/07/39/17/573073917.db2.gz LPXYZQSECPSIEJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H](CCCCCC)[NH2+]CC ZINC000128582031 573043515 /nfs/dbraw/zinc/04/35/15/573043515.db2.gz UNVMQYPQVXTYJT-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CC[C@@H](C[C@H](C)CCC)[NH2+]CCC ZINC000128657188 573096116 /nfs/dbraw/zinc/09/61/16/573096116.db2.gz TVOQSHFLWHGZEK-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H](CC1CCCC1)[NH2+]CCC ZINC000128657659 573095061 /nfs/dbraw/zinc/09/50/61/573095061.db2.gz KLGPJSCBCKOGLM-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H](CCCC(C)C)[NH2+]CCC ZINC000128679505 573085861 /nfs/dbraw/zinc/08/58/61/573085861.db2.gz MOWDKELGSUSGCD-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CCCCCC)[NH2+]C ZINC000128747594 573120800 /nfs/dbraw/zinc/12/08/00/573120800.db2.gz HNDQXEVNWUNANI-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H](CCCCCC)[NH2+]C ZINC000128747845 573123575 /nfs/dbraw/zinc/12/35/75/573123575.db2.gz HNDQXEVNWUNANI-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H]([NH3+])[C@H](CC)CCCC ZINC000128754351 573121779 /nfs/dbraw/zinc/12/17/79/573121779.db2.gz CBLDAWBOFBTYGU-CHWSQXEVSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@@H]([NH3+])[C@@H](CC)CCCC ZINC000128754603 573124250 /nfs/dbraw/zinc/12/42/50/573124250.db2.gz CBLDAWBOFBTYGU-QWHCGFSZSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@H]([NH3+])[C@H](CC)CCCC ZINC000128754760 573123207 /nfs/dbraw/zinc/12/32/07/573123207.db2.gz CBLDAWBOFBTYGU-OLZOCXBDSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@H]([NH3+])[C@@H](CC)CCCC ZINC000128754961 573119656 /nfs/dbraw/zinc/11/96/56/573119656.db2.gz CBLDAWBOFBTYGU-STQMWFEESA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@H](CCCCC)[NH2+]CC ZINC000128774056 573127344 /nfs/dbraw/zinc/12/73/44/573127344.db2.gz JXXXKNRBHSMIJZ-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H](CCCCC)[NH2+]CC ZINC000128774264 573126009 /nfs/dbraw/zinc/12/60/09/573126009.db2.gz JXXXKNRBHSMIJZ-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H]([NH3+])CC1CCCCC1 ZINC000128775713 573129228 /nfs/dbraw/zinc/12/92/28/573129228.db2.gz NJWSJMYQBXRVFE-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@@H]([NH2+]CC)C(CC)CC ZINC000128795793 573137636 /nfs/dbraw/zinc/13/76/36/573137636.db2.gz OIYDSYPJXRKZIT-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]CC)C(CC)CC ZINC000128796016 573135867 /nfs/dbraw/zinc/13/58/67/573135867.db2.gz OIYDSYPJXRKZIT-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](C[C@H](C)CC)[NH2+]CC ZINC000128814040 573138518 /nfs/dbraw/zinc/13/85/18/573138518.db2.gz QHECCUUTDGTMFK-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](C[C@@H](C)CC)[NH2+]CC ZINC000128814261 573134040 /nfs/dbraw/zinc/13/40/40/573134040.db2.gz QHECCUUTDGTMFK-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](C[C@H](C)CC)[NH2+]CC ZINC000128814483 573136946 /nfs/dbraw/zinc/13/69/46/573136946.db2.gz QHECCUUTDGTMFK-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](C[C@@H](C)CC)[NH2+]CC ZINC000128814700 573134863 /nfs/dbraw/zinc/13/48/63/573134863.db2.gz QHECCUUTDGTMFK-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]CC)C(C)(C)CC ZINC000128823157 573143109 /nfs/dbraw/zinc/14/31/09/573143109.db2.gz NRRRAQOQFDGUJY-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000128824737 573140885 /nfs/dbraw/zinc/14/08/85/573140885.db2.gz PIQVRQGVMQURDH-NWDGAFQWSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000128824936 573141290 /nfs/dbraw/zinc/14/12/90/573141290.db2.gz PIQVRQGVMQURDH-VXGBXAGGSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000128825187 573142986 /nfs/dbraw/zinc/14/29/86/573142986.db2.gz PIQVRQGVMQURDH-RYUDHWBXSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000128825427 573143523 /nfs/dbraw/zinc/14/35/23/573143523.db2.gz PIQVRQGVMQURDH-NEPJUHHUSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@@H]([NH3+])CCCCCC ZINC000128840194 573140792 /nfs/dbraw/zinc/14/07/92/573140792.db2.gz KRKDRNWNGTWWIK-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=CCCC[C@H]([NH3+])CCCCCC ZINC000128840395 573122254 /nfs/dbraw/zinc/12/22/54/573122254.db2.gz KRKDRNWNGTWWIK-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=CCCC[C@@H]([NH3+])C1(CC)CCCC1 ZINC000128849659 573128530 /nfs/dbraw/zinc/12/85/30/573128530.db2.gz OSRGOGIHDDAPGR-GFCCVEGCSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@H]([NH3+])C1(CC)CCCC1 ZINC000128849883 573128642 /nfs/dbraw/zinc/12/86/42/573128642.db2.gz OSRGOGIHDDAPGR-LBPRGKRZSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@H]([NH3+])CCC1CCCC1 ZINC000128867500 573131799 /nfs/dbraw/zinc/13/17/99/573131799.db2.gz ZHMZDXGRDITSBN-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@@H]([NH3+])CCC1CCCC1 ZINC000128867720 573130328 /nfs/dbraw/zinc/13/03/28/573130328.db2.gz ZHMZDXGRDITSBN-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCC[C@@H]([NH3+])C(CCC)CCC ZINC000128874313 573159856 /nfs/dbraw/zinc/15/98/56/573159856.db2.gz FXZPZFUBUIABEF-CYBMUJFWSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@H]([NH3+])C(CCC)CCC ZINC000128874525 573159204 /nfs/dbraw/zinc/15/92/04/573159204.db2.gz FXZPZFUBUIABEF-ZDUSSCGKSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCC[C@H](CCCCC)[NH2+]C ZINC000128878138 573156057 /nfs/dbraw/zinc/15/60/57/573156057.db2.gz BAYVXCSUIIOXPQ-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@@H](CCCCC)[NH2+]C ZINC000128878322 573157007 /nfs/dbraw/zinc/15/70/07/573157007.db2.gz BAYVXCSUIIOXPQ-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCCC[C@H](CC1CCCC1)[NH2+]C ZINC000128899915 573164070 /nfs/dbraw/zinc/16/40/70/573164070.db2.gz KXALDKDXIVQZAN-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]([NH2+]C)C1(C)CCCC1 ZINC000128907190 573142809 /nfs/dbraw/zinc/14/28/09/573142809.db2.gz QJUKPPYBTRZSJH-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]([NH2+]CC)[C@@H](C)C(C)C ZINC000128913295 573143492 /nfs/dbraw/zinc/14/34/92/573143492.db2.gz WRQDUKAZUAXABT-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@@H]([NH2+]CC)[C@@H](C)C(C)C ZINC000128913529 573143151 /nfs/dbraw/zinc/14/31/51/573143151.db2.gz WRQDUKAZUAXABT-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@H]([NH2+]CC)[C@H](C)C(C)C ZINC000128913759 573143414 /nfs/dbraw/zinc/14/34/14/573143414.db2.gz WRQDUKAZUAXABT-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCC[C@@H]([NH2+]CC)[C@H](C)C(C)C ZINC000128913971 573145001 /nfs/dbraw/zinc/14/50/01/573145001.db2.gz WRQDUKAZUAXABT-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H](CCCCCC)[NH2+]C ZINC000128924771 573145800 /nfs/dbraw/zinc/14/58/00/573145800.db2.gz FJRWBABWXMQVKP-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCC[C@@H](CCCCCC)[NH2+]C ZINC000128924975 573142385 /nfs/dbraw/zinc/14/23/85/573142385.db2.gz FJRWBABWXMQVKP-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCC[C@@H]([NH3+])C[C@H](C)CC(C)(C)C ZINC000128925195 573145338 /nfs/dbraw/zinc/14/53/38/573145338.db2.gz RKNUIQMQCVSYIE-NWDGAFQWSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000128925433 573142785 /nfs/dbraw/zinc/14/27/85/573142785.db2.gz RKNUIQMQCVSYIE-VXGBXAGGSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@H]([NH3+])C[C@H](C)CC(C)(C)C ZINC000128925692 573143362 /nfs/dbraw/zinc/14/33/62/573143362.db2.gz RKNUIQMQCVSYIE-RYUDHWBXSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000128925929 573144218 /nfs/dbraw/zinc/14/42/18/573144218.db2.gz RKNUIQMQCVSYIE-NEPJUHHUSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@@H](CC1CCCCC1)[NH2+]C ZINC000128927981 573141075 /nfs/dbraw/zinc/14/10/75/573141075.db2.gz AHLWRDUBCZIQLQ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](CC1CCCCC1)[NH2+]C ZINC000128928226 573140005 /nfs/dbraw/zinc/14/00/05/573140005.db2.gz AHLWRDUBCZIQLQ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)[C@@H](C)C(C)C ZINC000128949374 573143248 /nfs/dbraw/zinc/14/32/48/573143248.db2.gz FCGLVALAQOIERF-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)[C@@H](C)C(C)C ZINC000128949615 573143577 /nfs/dbraw/zinc/14/35/77/573143577.db2.gz FCGLVALAQOIERF-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)[C@H](C)C(C)C ZINC000128949775 573140475 /nfs/dbraw/zinc/14/04/75/573140475.db2.gz FCGLVALAQOIERF-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)[C@H](C)C(C)C ZINC000128949994 573140765 /nfs/dbraw/zinc/14/07/65/573140765.db2.gz FCGLVALAQOIERF-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H]([NH2+]C)C(CCC)CCC ZINC000128953443 573147568 /nfs/dbraw/zinc/14/75/68/573147568.db2.gz RXZDPALPERZEEL-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]C)C(CCC)CCC ZINC000128953639 573148618 /nfs/dbraw/zinc/14/86/18/573148618.db2.gz RXZDPALPERZEEL-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH3+])CCC1CCCCC1 ZINC000128954271 573147902 /nfs/dbraw/zinc/14/79/02/573147902.db2.gz CLHVXRQXCQOGJI-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@@H]([NH3+])CCC1CCCCC1 ZINC000128954446 573146571 /nfs/dbraw/zinc/14/65/71/573146571.db2.gz CLHVXRQXCQOGJI-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@H](CCCCC)[NH2+]CC ZINC000128960965 573173182 /nfs/dbraw/zinc/17/31/82/573173182.db2.gz UPFCJCGFWISRGB-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCC[C@@H](CCCCC)[NH2+]CC ZINC000128961189 573171955 /nfs/dbraw/zinc/17/19/55/573171955.db2.gz UPFCJCGFWISRGB-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CCC[C@H](CCCCCC)[NH2+]CC ZINC000128961415 573173426 /nfs/dbraw/zinc/17/34/26/573173426.db2.gz OEKVIMBHEUTOKB-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@@H](CCCCCC)[NH2+]CC ZINC000128961622 573172815 /nfs/dbraw/zinc/17/28/15/573172815.db2.gz OEKVIMBHEUTOKB-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@@H](CC1CCCC1)[NH2+]CC ZINC000128987069 573164932 /nfs/dbraw/zinc/16/49/32/573164932.db2.gz QTGNAOOSYDQQRI-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](CC1CCCC1)[NH2+]CC ZINC000128987305 573162749 /nfs/dbraw/zinc/16/27/49/573162749.db2.gz QTGNAOOSYDQQRI-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]C)[C@H](CC)CCCC ZINC000128999806 573172393 /nfs/dbraw/zinc/17/23/93/573172393.db2.gz INDJASKTGXOZCN-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]C)[C@@H](CC)CCCC ZINC000128999983 573175286 /nfs/dbraw/zinc/17/52/86/573175286.db2.gz INDJASKTGXOZCN-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]C)[C@H](CC)CCCC ZINC000129000122 573173674 /nfs/dbraw/zinc/17/36/74/573173674.db2.gz INDJASKTGXOZCN-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]C)[C@@H](CC)CCCC ZINC000129000349 573172108 /nfs/dbraw/zinc/17/21/08/573172108.db2.gz INDJASKTGXOZCN-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](CCC1CCCC1)[NH2+]C ZINC000129031560 573201369 /nfs/dbraw/zinc/20/13/69/573201369.db2.gz GCLTXHZPNYCMHX-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](CCC1CCCC1)[NH2+]C ZINC000129031765 573205142 /nfs/dbraw/zinc/20/51/42/573205142.db2.gz GCLTXHZPNYCMHX-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH3+])CCCCCCC ZINC000129042138 573204354 /nfs/dbraw/zinc/20/43/54/573204354.db2.gz DVESUIAAXZMTDE-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=CCC[C@H]([NH3+])CCCCCCC ZINC000129042346 573202975 /nfs/dbraw/zinc/20/29/75/573202975.db2.gz DVESUIAAXZMTDE-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=CCC[C@@H]([NH2+]C)C1(CC)CCCC1 ZINC000129062574 573216102 /nfs/dbraw/zinc/21/61/02/573216102.db2.gz FFHWBZJXYIVQCN-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]C)C1(CC)CCCC1 ZINC000129062761 573212475 /nfs/dbraw/zinc/21/24/75/573212475.db2.gz FFHWBZJXYIVQCN-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](C[C@@H](C)CC)[NH2+]CCC ZINC000129067972 573221224 /nfs/dbraw/zinc/22/12/24/573221224.db2.gz UHFBCJQCFNJRHI-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](C[C@@H](C)CC)[NH2+]CCC ZINC000129068179 573218379 /nfs/dbraw/zinc/21/83/79/573218379.db2.gz UHFBCJQCFNJRHI-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](C[C@H](C)CC)[NH2+]CCC ZINC000129068385 573220225 /nfs/dbraw/zinc/22/02/25/573220225.db2.gz UHFBCJQCFNJRHI-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](C[C@H](C)CC)[NH2+]CCC ZINC000129068659 573221047 /nfs/dbraw/zinc/22/10/47/573221047.db2.gz UHFBCJQCFNJRHI-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CCCCC)[NH2+]CCC ZINC000129072680 573219389 /nfs/dbraw/zinc/21/93/89/573219389.db2.gz NHHZKDSQOCHTTN-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@@H](CCCCC)[NH2+]CCC ZINC000129072884 573219174 /nfs/dbraw/zinc/21/91/74/573219174.db2.gz NHHZKDSQOCHTTN-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@H](C[C@H](C)C(C)(C)C)[NH2+]C ZINC000129109251 573230962 /nfs/dbraw/zinc/23/09/62/573230962.db2.gz CFTVNAZMFHTGQT-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H](C[C@@H](C)C(C)(C)C)[NH2+]C ZINC000129109497 573234290 /nfs/dbraw/zinc/23/42/90/573234290.db2.gz CFTVNAZMFHTGQT-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H](C[C@H](C)C(C)(C)C)[NH2+]C ZINC000129109705 573234163 /nfs/dbraw/zinc/23/41/63/573234163.db2.gz CFTVNAZMFHTGQT-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C ZINC000129109920 573233421 /nfs/dbraw/zinc/23/34/21/573233421.db2.gz CFTVNAZMFHTGQT-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H]([NH3+])CC1CCCCCC1 ZINC000129114128 573233148 /nfs/dbraw/zinc/23/31/48/573233148.db2.gz CJKCRUPRSCUJII-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@@H]([NH3+])CC1CCCCCC1 ZINC000129114350 573230694 /nfs/dbraw/zinc/23/06/94/573230694.db2.gz CJKCRUPRSCUJII-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCC[C@H](CCCCCCC)[NH2+]C ZINC000129125547 573217404 /nfs/dbraw/zinc/21/74/04/573217404.db2.gz FPRTZOCEECERLU-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@@H](CCCCCCC)[NH2+]C ZINC000129125765 573222825 /nfs/dbraw/zinc/22/28/25/573222825.db2.gz FPRTZOCEECERLU-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)C(CC)CC ZINC000129125976 573217673 /nfs/dbraw/zinc/21/76/73/573217673.db2.gz BTGUBVBOXDAFCL-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)C(CC)CC ZINC000129126194 573221939 /nfs/dbraw/zinc/22/19/39/573221939.db2.gz BTGUBVBOXDAFCL-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)[C@H](C)CCC ZINC000129129124 573217433 /nfs/dbraw/zinc/21/74/33/573217433.db2.gz RSMRFMHLOGNMGT-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)[C@@H](C)CCC ZINC000129129336 573219512 /nfs/dbraw/zinc/21/95/12/573219512.db2.gz RSMRFMHLOGNMGT-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)[C@H](C)CCC ZINC000129129546 573222207 /nfs/dbraw/zinc/22/22/07/573222207.db2.gz RSMRFMHLOGNMGT-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)[C@@H](C)CCC ZINC000129129773 573219753 /nfs/dbraw/zinc/21/97/53/573219753.db2.gz RSMRFMHLOGNMGT-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]CC)C1(C)CCCC1 ZINC000129136187 573221130 /nfs/dbraw/zinc/22/11/30/573221130.db2.gz QRPPQKSITBJKOD-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]CC)C1(C)CCCC1 ZINC000129136412 573221523 /nfs/dbraw/zinc/22/15/23/573221523.db2.gz QRPPQKSITBJKOD-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)C(C)(C)CC ZINC000129137111 573220260 /nfs/dbraw/zinc/22/02/60/573220260.db2.gz DWSGTVNMXHZLBG-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)C(C)(C)CC ZINC000129137336 573240366 /nfs/dbraw/zinc/24/03/66/573240366.db2.gz DWSGTVNMXHZLBG-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO CCCCCCC[C@H]([NH3+])CCC1CC1 ZINC000129948321 573384674 /nfs/dbraw/zinc/38/46/74/573384674.db2.gz VWNMBQPUVIXHIZ-ZDUSSCGKSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@@H]([NH3+])CCC1CC1 ZINC000129948541 573385062 /nfs/dbraw/zinc/38/50/62/573385062.db2.gz VWNMBQPUVIXHIZ-CYBMUJFWSA-N 1 0 197.366 3.864 10 30 AHEERO C=C[C@@H](CCCCCCCC)[NH2+]C ZINC000130472951 573597353 /nfs/dbraw/zinc/59/73/53/573597353.db2.gz HLEFHZQCLBZIPB-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C[C@@H]([NH2+]CCC)[C@H](CC)CCCC ZINC000130528161 573621337 /nfs/dbraw/zinc/62/13/37/573621337.db2.gz WKJYIHXKTLKZBQ-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@@H]([NH2+]CCC)[C@@H](CC)CCCC ZINC000130528355 573620638 /nfs/dbraw/zinc/62/06/38/573620638.db2.gz WKJYIHXKTLKZBQ-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@H]([NH2+]CCC)[C@H](CC)CCCC ZINC000130528555 573616767 /nfs/dbraw/zinc/61/67/67/573616767.db2.gz WKJYIHXKTLKZBQ-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@H]([NH2+]CCC)[C@@H](CC)CCCC ZINC000130528803 573616616 /nfs/dbraw/zinc/61/66/16/573616616.db2.gz WKJYIHXKTLKZBQ-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@H]([NH2+]CCC)C(CCC)CCC ZINC000130544101 573627907 /nfs/dbraw/zinc/62/79/07/573627907.db2.gz NXLHEDXMLKGVDQ-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@@H](CC1CCCCC1)[NH2+]CCC ZINC000130550779 573633102 /nfs/dbraw/zinc/63/31/02/573633102.db2.gz GEILZDKPNMCGLM-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H](CCC1CCCC1)[NH2+]CCC ZINC000130566185 573598420 /nfs/dbraw/zinc/59/84/20/573598420.db2.gz LGSCPTXRHDHCGA-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H](CCC1CCCC1)[NH2+]CCC ZINC000130566408 573603721 /nfs/dbraw/zinc/60/37/21/573603721.db2.gz LGSCPTXRHDHCGA-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H](CCCCCCC)[NH2+]CCC ZINC000130579184 573607032 /nfs/dbraw/zinc/60/70/32/573607032.db2.gz FXHMGOOCBDLVPU-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@@H](CCCCCCC)[NH2+]CCC ZINC000130579353 573604712 /nfs/dbraw/zinc/60/47/12/573604712.db2.gz FXHMGOOCBDLVPU-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@H](CCCCCCCCC)[NH2+]C ZINC000130612889 573613683 /nfs/dbraw/zinc/61/36/83/573613683.db2.gz OLCCZXLHGAOZHB-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@@H](CCCCCCCCC)[NH2+]C ZINC000130613098 573613017 /nfs/dbraw/zinc/61/30/17/573613017.db2.gz OLCCZXLHGAOZHB-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@H]([NH3+])CCCCCCCCC ZINC000130613572 573613629 /nfs/dbraw/zinc/61/36/29/573613629.db2.gz ZQTDLOJTSVNHEH-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=C[C@H](CCCCCC)[NH2+]CCC ZINC000130614689 573612797 /nfs/dbraw/zinc/61/27/97/573612797.db2.gz UBKMVGNGAYOXRS-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C[C@@H](CCCCCC)[NH2+]CCC ZINC000130614933 573612721 /nfs/dbraw/zinc/61/27/21/573612721.db2.gz UBKMVGNGAYOXRS-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C[C@H](CC1CCCCCC1)[NH2+]CC ZINC000130633852 573634781 /nfs/dbraw/zinc/63/47/81/573634781.db2.gz YMAIGRISWDPCQK-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H](CC1CCCCCC1)[NH2+]CC ZINC000130634053 573634859 /nfs/dbraw/zinc/63/48/59/573634859.db2.gz YMAIGRISWDPCQK-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H](C[C@@H](C)CC(C)(C)C)[NH2+]CC ZINC000130646799 573641013 /nfs/dbraw/zinc/64/10/13/573641013.db2.gz RZBLGQFMQDCUOH-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C[C@H](C)CC(C)(C)C)[NH2+]CC ZINC000130647008 573640078 /nfs/dbraw/zinc/64/00/78/573640078.db2.gz RZBLGQFMQDCUOH-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@@H](C[C@H](C)CC(C)(C)C)[NH2+]CC ZINC000130647235 573639050 /nfs/dbraw/zinc/63/90/50/573639050.db2.gz RZBLGQFMQDCUOH-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C[C@@H](C)C(C)(C)C)[NH2+]CCC ZINC000130660950 573645975 /nfs/dbraw/zinc/64/59/75/573645975.db2.gz SKPOJVOZLAAJLT-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C[C@H](C)C(C)(C)C)[NH2+]CCC ZINC000130661375 573646339 /nfs/dbraw/zinc/64/63/39/573646339.db2.gz SKPOJVOZLAAJLT-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@@H](C[C@H](C)C(C)(C)C)[NH2+]CCC ZINC000130661572 573642098 /nfs/dbraw/zinc/64/20/98/573642098.db2.gz SKPOJVOZLAAJLT-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](CCC1CCCCC1)[NH2+]CC ZINC000130674523 573646177 /nfs/dbraw/zinc/64/61/77/573646177.db2.gz RCDURXSVHXYURD-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H](CCC1CCCCC1)[NH2+]CC ZINC000130674736 573643145 /nfs/dbraw/zinc/64/31/45/573643145.db2.gz RCDURXSVHXYURD-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H]([NH2+]CCC)C1(CC)CCCC1 ZINC000130697082 573656053 /nfs/dbraw/zinc/65/60/53/573656053.db2.gz CTLRVXNMVICGBZ-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H]([NH2+]CCC)C1(CC)CCCC1 ZINC000130697287 573657035 /nfs/dbraw/zinc/65/70/35/573657035.db2.gz CTLRVXNMVICGBZ-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H](CCCCCCCC)[NH2+]CC ZINC000130700827 573652586 /nfs/dbraw/zinc/65/25/86/573652586.db2.gz JAIPLQISHUJYJX-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@@H](CCCCCCCC)[NH2+]CC ZINC000130701016 573652429 /nfs/dbraw/zinc/65/24/29/573652429.db2.gz JAIPLQISHUJYJX-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@H](CCCCCCC)[NH2+]CC ZINC000130702523 573655700 /nfs/dbraw/zinc/65/57/00/573655700.db2.gz VGOOILVEQRCFTR-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C[C@@H](CCCCCCC)[NH2+]CC ZINC000130702713 573656164 /nfs/dbraw/zinc/65/61/64/573656164.db2.gz VGOOILVEQRCFTR-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@H](CCCCCC)[NH2+]C ZINC000130779545 573709019 /nfs/dbraw/zinc/70/90/19/573709019.db2.gz GPRAGMINBWRSCY-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@@H](CCCCCC)[NH2+]C ZINC000130779763 573708339 /nfs/dbraw/zinc/70/83/39/573708339.db2.gz GPRAGMINBWRSCY-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH3+])C[C@H](C)CC(C)(C)C ZINC000130779964 573710272 /nfs/dbraw/zinc/71/02/72/573710272.db2.gz FEGFBUNGHRNUNF-NWDGAFQWSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000130780152 573709622 /nfs/dbraw/zinc/70/96/22/573709622.db2.gz FEGFBUNGHRNUNF-VXGBXAGGSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@H]([NH3+])C[C@@H](C)CC(C)(C)C ZINC000130780570 573710028 /nfs/dbraw/zinc/71/00/28/573710028.db2.gz FEGFBUNGHRNUNF-NEPJUHHUSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@H](CC1CCCCC1)[NH2+]C ZINC000130782703 573710178 /nfs/dbraw/zinc/71/01/78/573710178.db2.gz BSXSALRREHWKDJ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)[C@@H](C)C(C)C ZINC000130802948 573679209 /nfs/dbraw/zinc/67/92/09/573679209.db2.gz IQCLMUHLWJMDFZ-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)[C@@H](C)C(C)C ZINC000130803187 573677053 /nfs/dbraw/zinc/67/70/53/573677053.db2.gz IQCLMUHLWJMDFZ-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)[C@H](C)C(C)C ZINC000130803376 573677558 /nfs/dbraw/zinc/67/75/58/573677558.db2.gz IQCLMUHLWJMDFZ-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)[C@H](C)C(C)C ZINC000130803569 573678786 /nfs/dbraw/zinc/67/87/86/573678786.db2.gz IQCLMUHLWJMDFZ-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)C(CCC)CCC ZINC000130807302 573676777 /nfs/dbraw/zinc/67/67/77/573676777.db2.gz OMOKFQDPWPFTKU-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)C(CCC)CCC ZINC000130807521 573675208 /nfs/dbraw/zinc/67/52/08/573675208.db2.gz OMOKFQDPWPFTKU-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH3+])CCC1CCCCC1 ZINC000130808306 573677260 /nfs/dbraw/zinc/67/72/60/573677260.db2.gz BRKMRPHKIXHDHD-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(C)C[C@H](CCCCC)[NH2+]CC ZINC000130814500 573675761 /nfs/dbraw/zinc/67/57/61/573675761.db2.gz CJQQMOBYXWKANL-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@@H](CCCCC)[NH2+]CC ZINC000130814694 573676973 /nfs/dbraw/zinc/67/69/73/573676973.db2.gz CJQQMOBYXWKANL-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)C[C@H](CCCCCC)[NH2+]CC ZINC000130814923 573675676 /nfs/dbraw/zinc/67/56/76/573675676.db2.gz HPADAIZXRQFCRF-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@@H](CCCCCC)[NH2+]CC ZINC000130815122 573676881 /nfs/dbraw/zinc/67/68/81/573676881.db2.gz HPADAIZXRQFCRF-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@H](CC1CCCC1)[NH2+]CC ZINC000130839762 573681407 /nfs/dbraw/zinc/68/14/07/573681407.db2.gz BLKPKWSYKSMQKH-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H](CC1CCCC1)[NH2+]CC ZINC000130839988 573682571 /nfs/dbraw/zinc/68/25/71/573682571.db2.gz BLKPKWSYKSMQKH-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)[C@H](CC)CCCC ZINC000130852094 573685840 /nfs/dbraw/zinc/68/58/40/573685840.db2.gz YAWXKIAZTPCKIY-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)[C@@H](CC)CCCC ZINC000130852275 573689975 /nfs/dbraw/zinc/68/99/75/573689975.db2.gz YAWXKIAZTPCKIY-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)[C@H](CC)CCCC ZINC000130852481 573689070 /nfs/dbraw/zinc/68/90/70/573689070.db2.gz YAWXKIAZTPCKIY-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H](CCC1CCCC1)[NH2+]C ZINC000130883814 573721215 /nfs/dbraw/zinc/72/12/15/573721215.db2.gz VNZOEXAPYDWFNO-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H](CCC1CCCC1)[NH2+]C ZINC000130884029 573720914 /nfs/dbraw/zinc/72/09/14/573720914.db2.gz VNZOEXAPYDWFNO-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH3+])CCCCCCC ZINC000130894509 573723830 /nfs/dbraw/zinc/72/38/30/573723830.db2.gz GUJYHRULXXOPMT-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(C)C[C@H]([NH3+])CCCCCCC ZINC000130894705 573723165 /nfs/dbraw/zinc/72/31/65/573723165.db2.gz GUJYHRULXXOPMT-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)C1(CC)CCCC1 ZINC000130914639 573729803 /nfs/dbraw/zinc/72/98/03/573729803.db2.gz CWTFGIDDESIGEB-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)C1(CC)CCCC1 ZINC000130914856 573728130 /nfs/dbraw/zinc/72/81/30/573728130.db2.gz CWTFGIDDESIGEB-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H](C[C@@H](C)CC)[NH2+]CCC ZINC000130919634 573734150 /nfs/dbraw/zinc/73/41/50/573734150.db2.gz SKVJKGPUJGSCRP-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H](C[C@@H](C)CC)[NH2+]CCC ZINC000130919854 573734411 /nfs/dbraw/zinc/73/44/11/573734411.db2.gz SKVJKGPUJGSCRP-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H](C[C@H](C)CC)[NH2+]CCC ZINC000130920064 573733519 /nfs/dbraw/zinc/73/35/19/573733519.db2.gz SKVJKGPUJGSCRP-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H](C[C@H](C)CC)[NH2+]CCC ZINC000130920269 573733145 /nfs/dbraw/zinc/73/31/45/573733145.db2.gz SKVJKGPUJGSCRP-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H](CCCCC)[NH2+]CCC ZINC000130924361 573735426 /nfs/dbraw/zinc/73/54/26/573735426.db2.gz QNXFLYZVGARBBM-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@H](C[C@H](C)C(C)(C)C)[NH2+]C ZINC000130959427 573713228 /nfs/dbraw/zinc/71/32/28/573713228.db2.gz PYVBVXLMZKRBGX-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@H](C[C@@H](C)C(C)(C)C)[NH2+]C ZINC000130959638 573714720 /nfs/dbraw/zinc/71/47/20/573714720.db2.gz PYVBVXLMZKRBGX-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H](C[C@H](C)C(C)(C)C)[NH2+]C ZINC000130959828 573717168 /nfs/dbraw/zinc/71/71/68/573717168.db2.gz PYVBVXLMZKRBGX-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C ZINC000130960024 573715580 /nfs/dbraw/zinc/71/55/80/573715580.db2.gz PYVBVXLMZKRBGX-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@H]([NH3+])CC1CCCCCC1 ZINC000130963973 573718812 /nfs/dbraw/zinc/71/88/12/573718812.db2.gz WBVNUMQFWWBIQV-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(C)C[C@@H]([NH3+])CC1CCCCCC1 ZINC000130964193 573716918 /nfs/dbraw/zinc/71/69/18/573716918.db2.gz WBVNUMQFWWBIQV-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(C)C[C@H](CCCCCCC)[NH2+]C ZINC000130975429 573757414 /nfs/dbraw/zinc/75/74/14/573757414.db2.gz UAVSNEJCQKQQIF-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@@H](CCCCCCC)[NH2+]C ZINC000130975681 573759298 /nfs/dbraw/zinc/75/92/98/573759298.db2.gz UAVSNEJCQKQQIF-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)C(CC)CC ZINC000130975902 573758455 /nfs/dbraw/zinc/75/84/55/573758455.db2.gz ISNYULCFIHEXFL-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)C(CC)CC ZINC000130976106 573144763 /nfs/dbraw/zinc/14/47/63/573144763.db2.gz ISNYULCFIHEXFL-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)[C@H](C)CCC ZINC000130978971 573755630 /nfs/dbraw/zinc/75/56/30/573755630.db2.gz MUWHKZNZYUOXHP-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)[C@@H](C)CCC ZINC000130979184 573756453 /nfs/dbraw/zinc/75/64/53/573756453.db2.gz MUWHKZNZYUOXHP-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)[C@H](C)CCC ZINC000130979417 573759736 /nfs/dbraw/zinc/75/97/36/573759736.db2.gz MUWHKZNZYUOXHP-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)[C@@H](C)CCC ZINC000130979616 573754097 /nfs/dbraw/zinc/75/40/97/573754097.db2.gz MUWHKZNZYUOXHP-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]CC)C1(C)CCCC1 ZINC000130985821 573763651 /nfs/dbraw/zinc/76/36/51/573763651.db2.gz OOGJWFQNZKKKEE-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CC)C1(C)CCCC1 ZINC000130986040 573765467 /nfs/dbraw/zinc/76/54/67/573765467.db2.gz OOGJWFQNZKKKEE-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]([NH2+]CCC)C(C)(C)CC ZINC000130986627 573762081 /nfs/dbraw/zinc/76/20/81/573762081.db2.gz IRAOUICIMAWHIA-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CCC)C(C)(C)CC ZINC000130986824 573762029 /nfs/dbraw/zinc/76/20/29/573762029.db2.gz IRAOUICIMAWHIA-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO CCCCCCC[C@@H]([NH3+])C=C(C)C ZINC000131120476 573795804 /nfs/dbraw/zinc/79/58/04/573795804.db2.gz GAZQHIRVKJAEHQ-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO CCCCCCC[C@@H](C=C(C)C)[NH2+]C ZINC000131201553 573816744 /nfs/dbraw/zinc/81/67/44/573816744.db2.gz HLGBVLCITMKNMG-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO CCCCCCC[C@H](C=C(C)C)[NH2+]C ZINC000131201773 573821281 /nfs/dbraw/zinc/82/12/81/573821281.db2.gz HLGBVLCITMKNMG-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@H](CCCCCCCC)[NH2+]C ZINC000131228273 573794488 /nfs/dbraw/zinc/79/44/88/573794488.db2.gz AVPGOOBZFLSTHS-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@@H](CCCCCCCC)[NH2+]C ZINC000131228484 573795773 /nfs/dbraw/zinc/79/57/73/573795773.db2.gz AVPGOOBZFLSTHS-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@H](C[C@@H](C)C(C)(C)C)[NH2+]CC ZINC000131247296 573802643 /nfs/dbraw/zinc/80/26/43/573802643.db2.gz DYLHWUYQKJXOQY-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]CC ZINC000131247488 573800811 /nfs/dbraw/zinc/80/08/11/573800811.db2.gz DYLHWUYQKJXOQY-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@H](C[C@H](C)C(C)(C)C)[NH2+]CC ZINC000131247694 573804288 /nfs/dbraw/zinc/80/42/88/573804288.db2.gz DYLHWUYQKJXOQY-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H](C[C@H](C)C(C)(C)C)[NH2+]CC ZINC000131247874 573802412 /nfs/dbraw/zinc/80/24/12/573802412.db2.gz DYLHWUYQKJXOQY-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@H](CCC1CCCCC1)[NH2+]C ZINC000131268916 573807466 /nfs/dbraw/zinc/80/74/66/573807466.db2.gz HIQCFRYMBBSAMT-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H](CCCCCC)[NH2+]CC ZINC000131276631 573807290 /nfs/dbraw/zinc/80/72/90/573807290.db2.gz MRSXJRCQNZOFRA-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)[C@@H](CCCCCC)[NH2+]CC ZINC000131276858 573809542 /nfs/dbraw/zinc/80/95/42/573809542.db2.gz MRSXJRCQNZOFRA-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)[C@@H](CC1CCCCCC1)[NH2+]C ZINC000131295498 573813385 /nfs/dbraw/zinc/81/33/85/573813385.db2.gz RHXZDXPHYXBJII-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H](CC1CCCCCC1)[NH2+]C ZINC000131295691 573814791 /nfs/dbraw/zinc/81/47/91/573814791.db2.gz RHXZDXPHYXBJII-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H](CC1CCCCC1)[NH2+]CC ZINC000131310229 573812626 /nfs/dbraw/zinc/81/26/26/573812626.db2.gz UAGHQZPCTOBFKX-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H](CC1CCCCC1)[NH2+]CC ZINC000131310424 573811097 /nfs/dbraw/zinc/81/10/97/573811097.db2.gz UAGHQZPCTOBFKX-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)[C@H](CC)CCCC ZINC000131320761 573800384 /nfs/dbraw/zinc/80/03/84/573800384.db2.gz RGVJBIHCGBPOPN-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)[C@@H](CC)CCCC ZINC000131320930 573809757 /nfs/dbraw/zinc/80/97/57/573809757.db2.gz RGVJBIHCGBPOPN-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)[C@H](CC)CCCC ZINC000131321125 573810972 /nfs/dbraw/zinc/81/09/72/573810972.db2.gz RGVJBIHCGBPOPN-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@H](CCC1CCCC1)[NH2+]CC ZINC000131359042 573849467 /nfs/dbraw/zinc/84/94/67/573849467.db2.gz YWJQCTCUNNCYQB-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H](CCC1CCCC1)[NH2+]CC ZINC000131359236 573848448 /nfs/dbraw/zinc/84/84/48/573848448.db2.gz YWJQCTCUNNCYQB-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)C1(CC)CCCC1 ZINC000131363285 573855330 /nfs/dbraw/zinc/85/53/30/573855330.db2.gz BVUSYDBDCQWICZ-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)C1(CC)CCCC1 ZINC000131363483 573851265 /nfs/dbraw/zinc/85/12/65/573851265.db2.gz BVUSYDBDCQWICZ-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H](CC1CCCC1)[NH2+]CCC ZINC000131373743 573860225 /nfs/dbraw/zinc/86/02/25/573860225.db2.gz CWKJALFHEKEQOV-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H](CC1CCCC1)[NH2+]CCC ZINC000131373959 573859134 /nfs/dbraw/zinc/85/91/34/573859134.db2.gz CWKJALFHEKEQOV-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H](CCCCCC)[NH2+]CCC ZINC000131376941 573858037 /nfs/dbraw/zinc/85/80/37/573858037.db2.gz QPZJYULRXGAPTH-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@H](CCCCC)[NH2+]CCC ZINC000131409877 573828298 /nfs/dbraw/zinc/82/82/98/573828298.db2.gz IAFKPZAMJOXDFW-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)[C@@H](CCCCC)[NH2+]CCC ZINC000131410063 573827141 /nfs/dbraw/zinc/82/71/41/573827141.db2.gz IAFKPZAMJOXDFW-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(C)[C@H]([NH2+]CCC)C1(C)CCCC1 ZINC000131418418 573836022 /nfs/dbraw/zinc/83/60/22/573836022.db2.gz HRYNYRKKKCOMNG-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CCC)C1(C)CCCC1 ZINC000131418621 573833896 /nfs/dbraw/zinc/83/38/96/573833896.db2.gz HRYNYRKKKCOMNG-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)C(CCC)CCC ZINC000131436509 573869797 /nfs/dbraw/zinc/86/97/97/573869797.db2.gz MRYXHODOBPEYJQ-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)C(CCC)CCC ZINC000131436740 573872361 /nfs/dbraw/zinc/87/23/61/573872361.db2.gz MRYXHODOBPEYJQ-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@@H]([NH3+])CCCCCCCC ZINC000131437336 573871254 /nfs/dbraw/zinc/87/12/54/573871254.db2.gz LWMQTXQRXYPQMK-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(C)[C@H]([NH3+])CCCCCCCC ZINC000131437568 573873657 /nfs/dbraw/zinc/87/36/57/573873657.db2.gz LWMQTXQRXYPQMK-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(C)[C@H](C[C@H](C)CC(C)(C)C)[NH2+]C ZINC000131445658 573871923 /nfs/dbraw/zinc/87/19/23/573871923.db2.gz PPNJOXCNQNILLL-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H](C[C@H](C)CC(C)(C)C)[NH2+]C ZINC000131446073 573873847 /nfs/dbraw/zinc/87/38/47/573873847.db2.gz PPNJOXCNQNILLL-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H](C[C@@H](C)CC(C)(C)C)[NH2+]C ZINC000131446273 573871903 /nfs/dbraw/zinc/87/19/03/573871903.db2.gz PPNJOXCNQNILLL-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@H](CCCCCCC)[NH2+]CC ZINC000131473228 573881172 /nfs/dbraw/zinc/88/11/72/573881172.db2.gz LLDKJCYZJXHZKX-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@@H](CCCCCCC)[NH2+]CC ZINC000131473437 573882275 /nfs/dbraw/zinc/88/22/75/573882275.db2.gz LLDKJCYZJXHZKX-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(C)[C@@H](CCCCCCC)[NH2+]C ZINC000131473872 573883755 /nfs/dbraw/zinc/88/37/55/573883755.db2.gz KBHHAEWVTLKASK-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@H](CCCCCC)[NH2+]C ZINC000131507750 573863913 /nfs/dbraw/zinc/86/39/13/573863913.db2.gz ONUBLWOYGRRJQQ-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@@H](CCCCCC)[NH2+]C ZINC000131507974 573867360 /nfs/dbraw/zinc/86/73/60/573867360.db2.gz ONUBLWOYGRRJQQ-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])[C@H](CC)CCCC ZINC000131514104 573864472 /nfs/dbraw/zinc/86/44/72/573864472.db2.gz RWBHWTHYEIGALR-CHWSQXEVSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])[C@@H](CC)CCCC ZINC000131514328 573864415 /nfs/dbraw/zinc/86/44/15/573864415.db2.gz RWBHWTHYEIGALR-QWHCGFSZSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@H]([NH3+])[C@H](CC)CCCC ZINC000131514511 573867699 /nfs/dbraw/zinc/86/76/99/573867699.db2.gz RWBHWTHYEIGALR-OLZOCXBDSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@H]([NH3+])[C@@H](CC)CCCC ZINC000131514729 573866898 /nfs/dbraw/zinc/86/68/98/573866898.db2.gz RWBHWTHYEIGALR-STQMWFEESA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@H](CCCCC)[NH2+]CC ZINC000131532545 573899178 /nfs/dbraw/zinc/89/91/78/573899178.db2.gz FWYZINXPQCOVNL-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@@H](CCCCC)[NH2+]CC ZINC000131532753 573899200 /nfs/dbraw/zinc/89/92/00/573899200.db2.gz FWYZINXPQCOVNL-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=C(CC)C[C@H]([NH3+])CC1CCCCC1 ZINC000131533804 573901155 /nfs/dbraw/zinc/90/11/55/573901155.db2.gz JAJSNIWJEPBCOK-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])CC1CCCCC1 ZINC000131534009 573897678 /nfs/dbraw/zinc/89/76/78/573897678.db2.gz JAJSNIWJEPBCOK-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)C(CC)CC ZINC000131552358 573903964 /nfs/dbraw/zinc/90/39/64/573903964.db2.gz ROUPEJAETHYWKZ-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)C(CC)CC ZINC000131552556 573902365 /nfs/dbraw/zinc/90/23/65/573902365.db2.gz ROUPEJAETHYWKZ-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H](C[C@H](C)CC)[NH2+]CC ZINC000131569454 573902944 /nfs/dbraw/zinc/90/29/44/573902944.db2.gz SJWBCNUYNMGTMW-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H](C[C@@H](C)CC)[NH2+]CC ZINC000131569662 573903045 /nfs/dbraw/zinc/90/30/45/573903045.db2.gz SJWBCNUYNMGTMW-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](C[C@H](C)CC)[NH2+]CC ZINC000131569856 573906077 /nfs/dbraw/zinc/90/60/77/573906077.db2.gz SJWBCNUYNMGTMW-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](C[C@@H](C)CC)[NH2+]CC ZINC000131570065 573903834 /nfs/dbraw/zinc/90/38/34/573903834.db2.gz SJWBCNUYNMGTMW-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)C(C)(C)CC ZINC000131577901 573902935 /nfs/dbraw/zinc/90/29/35/573902935.db2.gz WLIPHLIPWAQRMC-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)C(C)(C)CC ZINC000131578096 573903869 /nfs/dbraw/zinc/90/38/69/573903869.db2.gz WLIPHLIPWAQRMC-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000131579618 573881670 /nfs/dbraw/zinc/88/16/70/573881670.db2.gz KZJHAOGBEANHSH-NEPJUHHUSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C[C@@H](C)C(C)(C)C ZINC000131579844 573881645 /nfs/dbraw/zinc/88/16/45/573881645.db2.gz KZJHAOGBEANHSH-VXGBXAGGSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000131580045 573883389 /nfs/dbraw/zinc/88/33/89/573883389.db2.gz KZJHAOGBEANHSH-RYUDHWBXSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C[C@H](C)C(C)(C)C ZINC000131580274 573881572 /nfs/dbraw/zinc/88/15/72/573881572.db2.gz KZJHAOGBEANHSH-NWDGAFQWSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])CCCCCC ZINC000131594106 573892479 /nfs/dbraw/zinc/89/24/79/573892479.db2.gz JDKZWBNGFLPSAZ-LBPRGKRZSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(CC)C[C@H]([NH3+])CCCCCC ZINC000131594301 573893352 /nfs/dbraw/zinc/89/33/52/573893352.db2.gz JDKZWBNGFLPSAZ-GFCCVEGCSA-N 1 0 183.339 3.640 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C1(CC)CCCC1 ZINC000131603125 573890974 /nfs/dbraw/zinc/89/09/74/573890974.db2.gz SWCVYYXOATYVPR-LBPRGKRZSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C1(CC)CCCC1 ZINC000131603335 573896108 /nfs/dbraw/zinc/89/61/08/573896108.db2.gz SWCVYYXOATYVPR-GFCCVEGCSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@H]([NH3+])CCC1CCCC1 ZINC000131619368 573892216 /nfs/dbraw/zinc/89/22/16/573892216.db2.gz SHJRPQSKDYLTDB-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])CCC1CCCC1 ZINC000131619565 573891010 /nfs/dbraw/zinc/89/10/10/573891010.db2.gz SHJRPQSKDYLTDB-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C(CCC)CCC ZINC000131625710 573895529 /nfs/dbraw/zinc/89/55/29/573895529.db2.gz CAGVZGXAIUMMRT-CYBMUJFWSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C(CCC)CCC ZINC000131625891 573891576 /nfs/dbraw/zinc/89/15/76/573891576.db2.gz CAGVZGXAIUMMRT-ZDUSSCGKSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(CC)C[C@H](CCCCC)[NH2+]C ZINC000131629021 573896257 /nfs/dbraw/zinc/89/62/57/573896257.db2.gz GOFRCCGPGOOWGU-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@@H](CCCCC)[NH2+]C ZINC000131629203 573894357 /nfs/dbraw/zinc/89/43/57/573894357.db2.gz GOFRCCGPGOOWGU-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)[C@H](C)CCC ZINC000131631087 573894107 /nfs/dbraw/zinc/89/41/07/573894107.db2.gz SOBBEPYRKVEBOW-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)[C@@H](C)CCC ZINC000131631301 573896223 /nfs/dbraw/zinc/89/62/23/573896223.db2.gz SOBBEPYRKVEBOW-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)[C@H](C)CCC ZINC000131631512 573893482 /nfs/dbraw/zinc/89/34/82/573893482.db2.gz SOBBEPYRKVEBOW-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)[C@@H](C)CCC ZINC000131631760 573894624 /nfs/dbraw/zinc/89/46/24/573894624.db2.gz SOBBEPYRKVEBOW-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](CC1CCCC1)[NH2+]C ZINC000131649437 573912554 /nfs/dbraw/zinc/91/25/54/573912554.db2.gz PBTXEFZIXMJZHJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H](CC1CCCC1)[NH2+]C ZINC000131649613 573914317 /nfs/dbraw/zinc/91/43/17/573914317.db2.gz PBTXEFZIXMJZHJ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]([NH2+]C)C1(C)CCCC1 ZINC000131656277 573912364 /nfs/dbraw/zinc/91/23/64/573912364.db2.gz CWCYBUNZVRWSCB-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)[C@@H](C)C(C)C ZINC000131662074 573914184 /nfs/dbraw/zinc/91/41/84/573914184.db2.gz NXYPJWRWVUKYKU-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)[C@@H](C)C(C)C ZINC000131662299 573914766 /nfs/dbraw/zinc/91/47/66/573914766.db2.gz NXYPJWRWVUKYKU-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@H]([NH2+]CC)[C@H](C)C(C)C ZINC000131662471 573919990 /nfs/dbraw/zinc/91/99/90/573919990.db2.gz NXYPJWRWVUKYKU-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]CC)[C@H](C)C(C)C ZINC000131662685 573923042 /nfs/dbraw/zinc/92/30/42/573923042.db2.gz NXYPJWRWVUKYKU-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H](C)[NH2+][C@H](C)CCCC ZINC000131988803 573136188 /nfs/dbraw/zinc/13/61/88/573136188.db2.gz CBMWRVSFGWAOCU-NWDGAFQWSA-N 1 0 183.339 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+][C@H](C)CCCC ZINC000131989196 573135464 /nfs/dbraw/zinc/13/54/64/573135464.db2.gz CBMWRVSFGWAOCU-VXGBXAGGSA-N 1 0 183.339 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+][C@@H](C)CCCC ZINC000131989406 573133847 /nfs/dbraw/zinc/13/38/47/573133847.db2.gz CBMWRVSFGWAOCU-NEPJUHHUSA-N 1 0 183.339 3.509 10 30 AHEERO CCCCCCC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000132238049 573250276 /nfs/dbraw/zinc/25/02/76/573250276.db2.gz CAAZVPHIBCCNNK-CHWSQXEVSA-N 1 0 197.366 3.722 10 30 AHEERO CCCCCCC[C@H]1CCC[C@@H]1C[NH3+] ZINC000132238235 573248531 /nfs/dbraw/zinc/24/85/31/573248531.db2.gz CAAZVPHIBCCNNK-QWHCGFSZSA-N 1 0 197.366 3.722 10 30 AHEERO CCCCCCC[C@@H]1CCC[C@H]1C[NH3+] ZINC000132238450 573248662 /nfs/dbraw/zinc/24/86/62/573248662.db2.gz CAAZVPHIBCCNNK-OLZOCXBDSA-N 1 0 197.366 3.722 10 30 AHEERO CCCCCCC[C@H]1CCC[C@H]1C[NH3+] ZINC000132238664 573249641 /nfs/dbraw/zinc/24/96/41/573249641.db2.gz CAAZVPHIBCCNNK-STQMWFEESA-N 1 0 197.366 3.722 10 30 AHEERO CCCCCCC[C@H]1CC[C@@H]1C[NH2+]C ZINC000132240826 573248930 /nfs/dbraw/zinc/24/89/30/573248930.db2.gz GXBRDXGJDUKUJL-QWHCGFSZSA-N 1 0 197.366 3.593 10 30 AHEERO CCCCCCC[C@@H]1CC[C@H]1C[NH2+]C ZINC000132241052 573258327 /nfs/dbraw/zinc/25/83/27/573258327.db2.gz GXBRDXGJDUKUJL-OLZOCXBDSA-N 1 0 197.366 3.593 10 30 AHEERO CCCCCCC[C@H]1CC[C@H]1C[NH2+]C ZINC000132241249 573258131 /nfs/dbraw/zinc/25/81/31/573258131.db2.gz GXBRDXGJDUKUJL-STQMWFEESA-N 1 0 197.366 3.593 10 30 AHEERO CCCCCCC[NH2+]C[C@@H](C)C1CC1 ZINC000132514006 573312572 /nfs/dbraw/zinc/31/25/72/573312572.db2.gz GJLVOACXYSEVTJ-GFCCVEGCSA-N 1 0 197.366 3.593 10 30 AHEERO CCCCCCC[NH2+]C[C@H](C)C1CC1 ZINC000132514214 573312726 /nfs/dbraw/zinc/31/27/26/573312726.db2.gz GJLVOACXYSEVTJ-LBPRGKRZSA-N 1 0 197.366 3.593 10 30 AHEERO CCCCCCCC[NH2+]C1CC=CC1 ZINC000132540451 573322142 /nfs/dbraw/zinc/32/21/42/573322142.db2.gz LHOYJCUURNNCIG-UHFFFAOYSA-N 1 0 195.350 3.655 10 30 AHEERO CCCCCCC[NH2+][C@@H](C)C(C)(C)C ZINC000132943787 573367019 /nfs/dbraw/zinc/36/70/19/573367019.db2.gz ATCVZCZDTBWCAJ-LBPRGKRZSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC[NH2+][C@H](C)C(C)(C)C ZINC000132943972 573371786 /nfs/dbraw/zinc/37/17/86/573371786.db2.gz ATCVZCZDTBWCAJ-GFCCVEGCSA-N 1 0 199.382 3.981 10 30 AHEERO CCCCCCC/C=C1/CC[C@H]([NH3+])C1 ZINC000133759954 573428122 /nfs/dbraw/zinc/42/81/22/573428122.db2.gz RSYAYGOFDDOFKK-FSBNRTBOSA-N 1 0 195.350 3.785 10 30 AHEERO CCCCCCC/C=C1/CC[C@@H]([NH3+])C1 ZINC000133760148 573426011 /nfs/dbraw/zinc/42/60/11/573426011.db2.gz RSYAYGOFDDOFKK-LLBKUYECSA-N 1 0 195.350 3.785 10 30 AHEERO CCCCCC/C=C/[NH+]1CCCC1 ZINC000136917972 343982370 /nfs/dbraw/zinc/98/23/70/343982370.db2.gz NXALTWDMILBHGT-JXMROGBWSA-N 1 0 181.323 3.566 10 30 AHEERO CCCCCCCC/C=C\CC[NH3+] ZINC000145020458 573478110 /nfs/dbraw/zinc/47/81/10/573478110.db2.gz MCNQJMKVZJRLOO-KTKRTIGZSA-N 1 0 183.339 3.642 10 30 AHEERO C=C(C)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000167447600 344305482 /nfs/dbraw/zinc/30/54/82/344305482.db2.gz JBUPBLCZJCEGJN-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000167447710 344305393 /nfs/dbraw/zinc/30/53/93/344305393.db2.gz JBUPBLCZJCEGJN-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C/C=C(C)/C(C)=[NH+]/c1ccccc1 ZINC000201355064 344365234 /nfs/dbraw/zinc/36/52/34/344365234.db2.gz AVXSEQSKLHZVSD-VNDLBSSNSA-N 1 0 173.259 3.745 10 30 AHEERO CCCC[NH+]=C1CCCCCCC1 ZINC000205296786 573254391 /nfs/dbraw/zinc/25/43/91/573254391.db2.gz MDNRMXGNUMHTAT-UHFFFAOYSA-N 1 0 181.323 3.972 10 30 AHEERO CCCCCC/C=C\CC[NH2+]C(C)C ZINC000206974198 571845441 /nfs/dbraw/zinc/84/54/41/571845441.db2.gz XBKNKAHVZJZEIW-KTKRTIGZSA-N 1 0 197.366 3.901 10 30 AHEERO C/C=C/[NH+]=C/c1ccc2ccccc2c1 ZINC000207224978 571690701 /nfs/dbraw/zinc/69/07/01/571690701.db2.gz QMVAQJUIILHAMX-KVTUJVTLSA-N 1 0 195.265 3.792 10 30 AHEERO C/C=C/[NH+]=C/c1cccc2ccccc12 ZINC000207225081 571691089 /nfs/dbraw/zinc/69/10/89/571691089.db2.gz OQFNJBKVPQPHTQ-FZOUPJAVSA-N 1 0 195.265 3.792 10 30 AHEERO C#C[P+](C(C)C)(C(C)C)C(C)C ZINC000207318164 571769964 /nfs/dbraw/zinc/76/99/64/571769964.db2.gz INQZNPTVGOVXNJ-UHFFFAOYSA-N 1 0 185.271 3.820 10 30 AHEERO CCCCCC/C=C\CC[NH2+]CCC ZINC000211589433 571929217 /nfs/dbraw/zinc/92/92/17/571929217.db2.gz WKWYFKSLADQMIY-KTKRTIGZSA-N 1 0 197.366 3.903 10 30 AHEERO CCCCCCC/C=C\CC[NH2+]C ZINC000211611624 571844105 /nfs/dbraw/zinc/84/41/05/571844105.db2.gz KLJKFDXWBMLTNP-KTKRTIGZSA-N 1 0 183.339 3.513 10 30 AHEERO CCCCCC/C=C\CC[NH2+]C1CC1 ZINC000211645603 573844545 /nfs/dbraw/zinc/84/45/45/573844545.db2.gz XOAAEPZYWNYVGF-FPLPWBNLSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCCC/C=C\CC[NH2+]C(C)(C)C ZINC000211747803 573877407 /nfs/dbraw/zinc/87/74/07/573877407.db2.gz KQWHEDBGRRLRJC-KTKRTIGZSA-N 1 0 195.350 3.677 10 30 AHEERO CCCCCCC[C@@H](C)CC[NH2+]CC ZINC000211768678 573928102 /nfs/dbraw/zinc/92/81/02/573928102.db2.gz PAOVCOQBKXNQST-CYBMUJFWSA-N 1 0 199.382 3.983 10 30 AHEERO CCCCCCC[C@H](C)CC[NH2+]CC ZINC000211768753 573927774 /nfs/dbraw/zinc/92/77/74/573927774.db2.gz PAOVCOQBKXNQST-ZDUSSCGKSA-N 1 0 199.382 3.983 10 30 AHEERO C=C(CC)C/C(C)=C\CC[NH2+]C(C)C ZINC000211773245 573944197 /nfs/dbraw/zinc/94/41/97/573944197.db2.gz WKSGDMDTPUNWMF-JYRVWZFOSA-N 1 0 195.350 3.677 10 30 AHEERO C=C(CC)C/C=C\CC[NH2+]CC(C)C ZINC000211790445 573968380 /nfs/dbraw/zinc/96/83/80/573968380.db2.gz WENQBBMGERZSED-SREVYHEPSA-N 1 0 195.350 3.535 10 30 AHEERO CCCCCCCC(C)(C)CC[NH2+]C ZINC000211805022 573376745 /nfs/dbraw/zinc/37/67/45/573376745.db2.gz KBFHVNMGVHGPNL-UHFFFAOYSA-N 1 0 199.382 3.983 10 30 AHEERO C=C(CC)C/C(C)=C/CC[NH2+]CCC ZINC000211821146 573633181 /nfs/dbraw/zinc/63/31/81/573633181.db2.gz WWKXFKVEKFOSJQ-MDWZMJQESA-N 1 0 195.350 3.679 10 30 AHEERO C=CCCC/C(C)=C/CC[NH2+]C(C)C ZINC000211834898 573808353 /nfs/dbraw/zinc/80/83/53/573808353.db2.gz FTQABFUORFMMKW-JLHYYAGUSA-N 1 0 195.350 3.677 10 30 AHEERO C=CCCC/C=C\CC[NH2+]CC(C)C ZINC000211851187 573215193 /nfs/dbraw/zinc/21/51/93/573215193.db2.gz SOUDCHVTGOLLOU-HJWRWDBZSA-N 1 0 195.350 3.535 10 30 AHEERO C=C(CC)C/C=C\CC[NH2+]C(C)(C)C ZINC000211861320 573863435 /nfs/dbraw/zinc/86/34/35/573863435.db2.gz QDCNLGSOSCXCJG-FPLPWBNLSA-N 1 0 195.350 3.677 10 30 AHEERO CCCCCCC/C(C)=C\CC[NH2+]C ZINC000211865484 573910043 /nfs/dbraw/zinc/91/00/43/573910043.db2.gz UVSDUPVGUGFRPO-QBFSEMIESA-N 1 0 197.366 3.903 10 30 AHEERO C=CC[C@H]1[NH2+][C@@H](CC=C)c2ccccc21 ZINC000214454080 573793123 /nfs/dbraw/zinc/79/31/23/573793123.db2.gz HIWDUWNKTCTHRC-OKILXGFUSA-N 1 0 199.297 3.524 10 30 AHEERO C=CC[C@H]1[NH2+][C@H](CC=C)c2ccccc21 ZINC000214454130 571756433 /nfs/dbraw/zinc/75/64/33/571756433.db2.gz HIWDUWNKTCTHRC-ZIAGYGMSSA-N 1 0 199.297 3.524 10 30 AHEERO CCCCCCC/C(C)=C\CC[NH3+] ZINC000214893798 572087405 /nfs/dbraw/zinc/08/74/05/572087405.db2.gz NVVXNAZTDBVFST-BENRWUELSA-N 1 0 183.339 3.642 10 30 AHEERO C=C(C)CC[C@@H]1CCCC[C@@H]1[NH2+]CC ZINC000229081290 572026893 /nfs/dbraw/zinc/02/68/93/572026893.db2.gz JYZVBQCGOBIXJU-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](C)[C@H](C)C[NH2+]C ZINC000234375125 571911421 /nfs/dbraw/zinc/91/14/21/571911421.db2.gz PEWFUWADHYIYOB-QWHCGFSZSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCCCC[C@@H](C)[C@H](C)C[NH2+]C ZINC000234377716 571909671 /nfs/dbraw/zinc/90/96/71/571909671.db2.gz PEWFUWADHYIYOB-CHWSQXEVSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCCCC[C@H]([NH2+]C)C1(C)CC1 ZINC000234419683 571746093 /nfs/dbraw/zinc/74/60/93/571746093.db2.gz DBQZHLMNZIUVFL-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]([NH2+]C)C1CCC1 ZINC000234420554 571745168 /nfs/dbraw/zinc/74/51/68/571745168.db2.gz NCIULENONFSPMJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H](CC(C)C)[NH2+]C ZINC000234421580 571744697 /nfs/dbraw/zinc/74/46/97/571744697.db2.gz GNDPZHQKAPVEIV-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@@H](CC1CC1)[NH2+]C ZINC000234421767 571746201 /nfs/dbraw/zinc/74/62/01/571746201.db2.gz JKAVSGDDJKMYGC-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1CCC[C@H]1[NH2+]C ZINC000234435177 571779028 /nfs/dbraw/zinc/77/90/28/571779028.db2.gz NWKGXBOVUJOFJM-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](C)C[C@H](C)[NH2+]C ZINC000234439295 571821406 /nfs/dbraw/zinc/82/14/06/571821406.db2.gz GTMATNJIYACSFC-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@@H](C)C[C@H](C)[NH2+]C ZINC000234442570 571865551 /nfs/dbraw/zinc/86/55/51/571865551.db2.gz GTMATNJIYACSFC-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)C1(C)CCCCC1 ZINC000234442585 571864465 /nfs/dbraw/zinc/86/44/65/571864465.db2.gz MMRCXDXUJJZJMH-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)C1(C)CCCCC1 ZINC000234443075 571865877 /nfs/dbraw/zinc/86/58/77/571865877.db2.gz MMRCXDXUJJZJMH-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](C)C[C@@H](C)[NH2+]C ZINC000234443147 571864152 /nfs/dbraw/zinc/86/41/52/571864152.db2.gz GTMATNJIYACSFC-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@@H]([NH2+]C)C1(C)CC1 ZINC000234444850 572095627 /nfs/dbraw/zinc/09/56/27/572095627.db2.gz DBQZHLMNZIUVFL-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]1CCC[C@H]1[NH2+]C ZINC000234445413 571730189 /nfs/dbraw/zinc/73/01/89/571730189.db2.gz NWKGXBOVUJOFJM-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]([NH2+]C)C1CCC1 ZINC000234445581 571731425 /nfs/dbraw/zinc/73/14/25/571731425.db2.gz NCIULENONFSPMJ-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H](C)C[C@@H](C)[NH2+]C ZINC000234446354 571767597 /nfs/dbraw/zinc/76/75/97/571767597.db2.gz GTMATNJIYACSFC-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@H](CC(C)C)[NH2+]C ZINC000234446551 571773130 /nfs/dbraw/zinc/77/31/30/571773130.db2.gz GNDPZHQKAPVEIV-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCCC[C@H](CC1CC1)[NH2+]C ZINC000234446686 571762294 /nfs/dbraw/zinc/76/22/94/571762294.db2.gz JKAVSGDDJKMYGC-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1CC[C@H]([NH2+]C)C1 ZINC000234472853 571960761 /nfs/dbraw/zinc/96/07/61/571960761.db2.gz YPCGRUHVXXAMNR-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]C)C1(C)CCCCC1 ZINC000234474940 571968808 /nfs/dbraw/zinc/96/88/08/571968808.db2.gz VPRMCJMPJJDBMX-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1CC[C@@H]([NH2+]C)C1 ZINC000234478519 571977123 /nfs/dbraw/zinc/97/71/23/571977123.db2.gz YPCGRUHVXXAMNR-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1CCC[C@@H]1[NH2+]C ZINC000234498989 571993903 /nfs/dbraw/zinc/99/39/03/571993903.db2.gz NWKGXBOVUJOFJM-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]1CCC[C@@H]1[NH2+]C ZINC000234507439 572002055 /nfs/dbraw/zinc/00/20/55/572002055.db2.gz NWKGXBOVUJOFJM-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]1CC[C@H]([NH2+]C)C1 ZINC000234514307 572014016 /nfs/dbraw/zinc/01/40/16/572014016.db2.gz YPCGRUHVXXAMNR-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCCC(C)(C)C[C@@H](C)[NH3+] ZINC000235159233 572173657 /nfs/dbraw/zinc/17/36/57/572173657.db2.gz XWZKDXOHCALMRM-GFCCVEGCSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCCCC[NH2+][C@H](C)C1CCC1 ZINC000235203992 572227662 /nfs/dbraw/zinc/22/76/62/572227662.db2.gz BAAGUPAAJDNTNE-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000235267371 571713565 /nfs/dbraw/zinc/71/35/65/571713565.db2.gz SYRFSTQBRJDADW-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000235267928 571713501 /nfs/dbraw/zinc/71/35/01/571713501.db2.gz CGZYBJBPGLUMRX-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1C[C@H](C)CC[NH2+]1 ZINC000235269457 571710298 /nfs/dbraw/zinc/71/02/98/571710298.db2.gz FIOMKKSRIXJTPT-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000235275436 571717946 /nfs/dbraw/zinc/71/79/46/571717946.db2.gz UHZLUKILBOFVPK-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[NH2+][C@H]1CC[C@@H](C)C1 ZINC000235278370 571716470 /nfs/dbraw/zinc/71/64/70/571716470.db2.gz UHZLUKILBOFVPK-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000235280759 571718845 /nfs/dbraw/zinc/71/88/45/571718845.db2.gz FIOMKKSRIXJTPT-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000235287026 571722280 /nfs/dbraw/zinc/72/22/80/571722280.db2.gz SYRFSTQBRJDADW-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@]1(C)CC[C@@H]([NH3+])C1 ZINC000235390977 571869171 /nfs/dbraw/zinc/86/91/71/571869171.db2.gz UBTIISQGJGHLRD-CHWSQXEVSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@]1(C)CC[C@H]([NH3+])C1 ZINC000235391124 571867883 /nfs/dbraw/zinc/86/78/83/571867883.db2.gz UBTIISQGJGHLRD-QWHCGFSZSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCCC(C)(C)C[C@H](C)[NH3+] ZINC000235493245 571934227 /nfs/dbraw/zinc/93/42/27/571934227.db2.gz XWZKDXOHCALMRM-LBPRGKRZSA-N 1 0 197.366 3.886 10 30 AHEERO C=CCCCCC[NH2+][C@@H](C)C1CCC1 ZINC000235510735 573185273 /nfs/dbraw/zinc/18/52/73/573185273.db2.gz BAAGUPAAJDNTNE-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000235552917 571985137 /nfs/dbraw/zinc/98/51/37/571985137.db2.gz FIOMKKSRIXJTPT-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[NH2+][C@@H]1CC[C@H](C)C1 ZINC000235568830 571995693 /nfs/dbraw/zinc/99/56/93/571995693.db2.gz UHZLUKILBOFVPK-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000235580899 572021245 /nfs/dbraw/zinc/02/12/45/572021245.db2.gz SYRFSTQBRJDADW-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000235581198 572022860 /nfs/dbraw/zinc/02/28/60/572022860.db2.gz CGZYBJBPGLUMRX-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[NH2+][C@H]1CC[C@H](C)C1 ZINC000235585984 572033913 /nfs/dbraw/zinc/03/39/13/572033913.db2.gz UHZLUKILBOFVPK-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000235589692 572037063 /nfs/dbraw/zinc/03/70/63/572037063.db2.gz FIOMKKSRIXJTPT-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@@]1(C)CC[C@@H]([NH3+])C1 ZINC000235745627 571807346 /nfs/dbraw/zinc/80/73/46/571807346.db2.gz UBTIISQGJGHLRD-OLZOCXBDSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@@]1(C)CC[C@H]([NH3+])C1 ZINC000235745744 571805151 /nfs/dbraw/zinc/80/51/51/571805151.db2.gz UBTIISQGJGHLRD-STQMWFEESA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC=C1CCC([NH3+])CC1 ZINC000236217835 572763443 /nfs/dbraw/zinc/76/34/43/572763443.db2.gz FLOKVLZPSYNUBL-UHFFFAOYSA-N 1 0 193.334 3.561 10 30 AHEERO C=CCCCCC[C@@H]1CCCC[C@H]1[NH3+] ZINC000236291084 572960879 /nfs/dbraw/zinc/96/08/79/572960879.db2.gz MTMALEAFYUAZRM-CHWSQXEVSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@H]([NH3+])CC1CCC1 ZINC000236301046 572973373 /nfs/dbraw/zinc/97/33/73/572973373.db2.gz NHUIULRHNGKTII-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@H]1CCCC[C@H]1[NH3+] ZINC000236302556 572976344 /nfs/dbraw/zinc/97/63/44/572976344.db2.gz MTMALEAFYUAZRM-QWHCGFSZSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236304201 572976535 /nfs/dbraw/zinc/97/65/35/572976535.db2.gz PDNUQUCCTYSTNY-CHWSQXEVSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCCCC[C@H]([NH3+])C1CC1 ZINC000236304212 572975871 /nfs/dbraw/zinc/97/58/71/572975871.db2.gz VIXVAXGRQXGLCZ-ZDUSSCGKSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCC/C=C1/CCC[C@@H]([NH3+])C1 ZINC000236304454 572975940 /nfs/dbraw/zinc/97/59/40/572975940.db2.gz WLDJBDHGBJWBOO-LLBKUYECSA-N 1 0 193.334 3.561 10 30 AHEERO C=CCCCCCC1=C[C@H]([NH3+])CCC1 ZINC000236307849 572982793 /nfs/dbraw/zinc/98/27/93/572982793.db2.gz PDNCPMBHRMGXLD-CYBMUJFWSA-N 1 0 193.334 3.561 10 30 AHEERO C=CCCCCC[C@@H]([NH3+])C1CCCC1 ZINC000236314306 572327537 /nfs/dbraw/zinc/32/75/37/572327537.db2.gz OHRHCSMBHGFVJN-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@@H]([NH3+])CC1CCC1 ZINC000236314510 572326691 /nfs/dbraw/zinc/32/66/91/572326691.db2.gz NHUIULRHNGKTII-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCCCC[C@@H]([NH3+])C1CC1 ZINC000236316638 572330601 /nfs/dbraw/zinc/33/06/01/572330601.db2.gz VIXVAXGRQXGLCZ-CYBMUJFWSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000236318876 572335309 /nfs/dbraw/zinc/33/53/09/572335309.db2.gz PDNUQUCCTYSTNY-OLZOCXBDSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@H]1CCCC[C@@H]1[NH3+] ZINC000236320343 572333670 /nfs/dbraw/zinc/33/36/70/572333670.db2.gz MTMALEAFYUAZRM-STQMWFEESA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCC/C=C1/CCC[C@H]([NH3+])C1 ZINC000236321040 572338179 /nfs/dbraw/zinc/33/81/79/572338179.db2.gz WLDJBDHGBJWBOO-FSBNRTBOSA-N 1 0 193.334 3.561 10 30 AHEERO C=CCCCCCC1=C[C@@H]([NH3+])CCC1 ZINC000236325124 572338847 /nfs/dbraw/zinc/33/88/47/572338847.db2.gz PDNCPMBHRMGXLD-ZDUSSCGKSA-N 1 0 193.334 3.561 10 30 AHEERO C=CCCCCC[C@@H]1CCCC[C@@H]1[NH3+] ZINC000236329841 572354060 /nfs/dbraw/zinc/35/40/60/572354060.db2.gz MTMALEAFYUAZRM-OLZOCXBDSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCCC[C@@H]1CCCC[NH2+]1 ZINC000238052763 572918380 /nfs/dbraw/zinc/91/83/80/572918380.db2.gz AHJADKOXQMVOLF-CYBMUJFWSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCCCCCC[C@H]1CCCC[NH2+]1 ZINC000238052845 572919043 /nfs/dbraw/zinc/91/90/43/572919043.db2.gz AHJADKOXQMVOLF-ZDUSSCGKSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCC[C@@H]1CCC[C@H](CC(C)C)[NH2+]1 ZINC000238148260 572954036 /nfs/dbraw/zinc/95/40/36/572954036.db2.gz URZLRJAYRCLTNA-CHWSQXEVSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H]1CCC[C@H](CC(C)C)[NH2+]1 ZINC000238148331 572954181 /nfs/dbraw/zinc/95/41/81/572954181.db2.gz URZLRJAYRCLTNA-QWHCGFSZSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H]1CCC[C@@H](CC(C)C)[NH2+]1 ZINC000238156308 572957328 /nfs/dbraw/zinc/95/73/28/572957328.db2.gz URZLRJAYRCLTNA-OLZOCXBDSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H]1CCC[C@@H](CC(C)C)[NH2+]1 ZINC000238156366 572956947 /nfs/dbraw/zinc/95/69/47/572956947.db2.gz URZLRJAYRCLTNA-STQMWFEESA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](CCC)[NH2+]CCCCCC ZINC000238188425 572975042 /nfs/dbraw/zinc/97/50/42/572975042.db2.gz AMKDAYDLOYFEGF-GFCCVEGCSA-N 1 0 183.339 3.511 10 30 AHEERO C=C[C@@H](CCC)[NH2+]CCCCCC ZINC000238189400 572977780 /nfs/dbraw/zinc/97/77/80/572977780.db2.gz AMKDAYDLOYFEGF-LBPRGKRZSA-N 1 0 183.339 3.511 10 30 AHEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC ZINC000238205811 572334809 /nfs/dbraw/zinc/33/48/09/572334809.db2.gz QSDLOSQVSRBFMT-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC ZINC000238205882 572334927 /nfs/dbraw/zinc/33/49/27/572334927.db2.gz QSDLOSQVSRBFMT-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H]1CCC[C@@H](CCCCCC)[NH2+]1 ZINC000238212715 572335726 /nfs/dbraw/zinc/33/57/26/572335726.db2.gz YDNKJQPPSWARDK-CHWSQXEVSA-N 1 0 195.350 3.654 10 30 AHEERO C=C[C@H]1CCC[C@@H](CCCCCC)[NH2+]1 ZINC000238212820 572337592 /nfs/dbraw/zinc/33/75/92/572337592.db2.gz YDNKJQPPSWARDK-QWHCGFSZSA-N 1 0 195.350 3.654 10 30 AHEERO C=CC[C@@H](CCC)[NH2+]C1CCCCC1 ZINC000238223506 572384335 /nfs/dbraw/zinc/38/43/35/572384335.db2.gz NKLXAYDHHBERSA-LBPRGKRZSA-N 1 0 195.350 3.654 10 30 AHEERO C=C1CC(CC)(CC)[NH2+]C1(CC)CC ZINC000238223999 572378487 /nfs/dbraw/zinc/37/84/87/572378487.db2.gz APJIPRNYLUZLGU-UHFFFAOYSA-N 1 0 195.350 3.654 10 30 AHEERO C=C[C@@](C)(CCCCC)[NH2+]CCCC ZINC000238224087 572378219 /nfs/dbraw/zinc/37/82/19/572378219.db2.gz VTVNZSMGIMQBKM-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=C[C@@H]1CCC[C@H](CCCCCC)[NH2+]1 ZINC000238226380 572386885 /nfs/dbraw/zinc/38/68/85/572386885.db2.gz YDNKJQPPSWARDK-OLZOCXBDSA-N 1 0 195.350 3.654 10 30 AHEERO C=C[C@H]1CCC[C@H](CCCCCC)[NH2+]1 ZINC000238226452 572388682 /nfs/dbraw/zinc/38/86/82/572388682.db2.gz YDNKJQPPSWARDK-STQMWFEESA-N 1 0 195.350 3.654 10 30 AHEERO C=CCC(C)(CC=C)C[NH2+]CCCC ZINC000238238340 572424566 /nfs/dbraw/zinc/42/45/66/572424566.db2.gz ZUMHMCNYUGVQCD-UHFFFAOYSA-N 1 0 195.350 3.535 10 30 AHEERO C=C[C@](C)(CCCCC)[NH2+]CCCC ZINC000238245003 572454112 /nfs/dbraw/zinc/45/41/12/572454112.db2.gz VTVNZSMGIMQBKM-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCC/C=C(\C)[C@H]([NH2+]CC)C(C)C ZINC000238266156 572492737 /nfs/dbraw/zinc/49/27/37/572492737.db2.gz CLSBRTLLHZECQU-RSKUSDAESA-N 1 0 195.350 3.533 10 30 AHEERO C=CCC/C=C(\C)[C@@H]([NH2+]CC)C(C)C ZINC000238284593 572520434 /nfs/dbraw/zinc/52/04/34/572520434.db2.gz CLSBRTLLHZECQU-XSNHNAGMSA-N 1 0 195.350 3.533 10 30 AHEERO C=CCC[C@@H]1CCC[C@@H](CCCC)[NH2+]1 ZINC000238794930 572417159 /nfs/dbraw/zinc/41/71/59/572417159.db2.gz HXEQDGRLKPXLJS-CHWSQXEVSA-N 1 0 195.350 3.654 10 30 AHEERO C=CCC[C@H]1CCC[C@@H](CCCC)[NH2+]1 ZINC000238794943 572416615 /nfs/dbraw/zinc/41/66/15/572416615.db2.gz HXEQDGRLKPXLJS-QWHCGFSZSA-N 1 0 195.350 3.654 10 30 AHEERO C=CC[C@H](CCC)[NH2+]C1CCCCC1 ZINC000238795213 572408972 /nfs/dbraw/zinc/40/89/72/572408972.db2.gz NKLXAYDHHBERSA-GFCCVEGCSA-N 1 0 195.350 3.654 10 30 AHEERO CCCCCCC[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000250844893 571804155 /nfs/dbraw/zinc/80/41/55/571804155.db2.gz ZTQZOAJRZWCGPD-AGIUHOORSA-N 1 0 197.366 3.733 10 30 AHEERO CCCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000250844894 571802179 /nfs/dbraw/zinc/80/21/79/571802179.db2.gz ZTQZOAJRZWCGPD-FRRDWIJNSA-N 1 0 197.366 3.733 10 30 AHEERO CC(C)=CC(C)=[NH+]c1ccccc1 ZINC000256081260 573980099 /nfs/dbraw/zinc/98/00/99/573980099.db2.gz HDYUYNXWWPTVRA-UHFFFAOYSA-N 1 0 173.259 3.745 10 30 AHEERO CCCCCCCC[C@@](C)([NH3+])C1CC1 ZINC000257362824 572758331 /nfs/dbraw/zinc/75/83/31/572758331.db2.gz DXXLALIZKNPIAV-CYBMUJFWSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCCC[C@](C)([NH3+])C1CC1 ZINC000257362825 572761342 /nfs/dbraw/zinc/76/13/42/572761342.db2.gz DXXLALIZKNPIAV-ZDUSSCGKSA-N 1 0 197.366 3.864 10 30 AHEERO C=CCCCCC[C@@H](C)[C@@H](C)C[NH2+]C ZINC000300224614 572005901 /nfs/dbraw/zinc/00/59/01/572005901.db2.gz PEWFUWADHYIYOB-OLZOCXBDSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCCCC[C@H](C)[C@@H](C)C[NH2+]C ZINC000300224615 572003793 /nfs/dbraw/zinc/00/37/93/572003793.db2.gz PEWFUWADHYIYOB-STQMWFEESA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCCCC[C@@H]([NH3+])[C@H](C)CCC ZINC000300225814 572008799 /nfs/dbraw/zinc/00/87/99/572008799.db2.gz UTJOGEMKXWICLT-CHWSQXEVSA-N 1 0 197.366 3.886 10 30 AHEERO C=C(C)CC[NH2+]C[C@@H](CC)CCCC ZINC000300339331 572128569 /nfs/dbraw/zinc/12/85/69/572128569.db2.gz CXWMOUUQWCPDSR-ZDUSSCGKSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCC[NH2+]C[C@@H](CC)CCCC ZINC000300339346 572127706 /nfs/dbraw/zinc/12/77/06/572127706.db2.gz DWSIFCXSRYFCML-ZDUSSCGKSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCCCC[NH2+][C@H]1C[C@H]1CCC ZINC000300389227 572157149 /nfs/dbraw/zinc/15/71/49/572157149.db2.gz RSAYYCAGXPLBGI-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[NH2+]CC1CCCCCCC1 ZINC000300774029 571916606 /nfs/dbraw/zinc/91/66/06/571916606.db2.gz KKGNOXMLLOPCND-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CC[C@H](C[C@H](C)CC(C)C)[NH2+]CC ZINC000300824157 571965553 /nfs/dbraw/zinc/96/55/53/571965553.db2.gz BHWVQALTYRDBRC-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@@H](C[C@H](C)CC(C)C)[NH2+]CC ZINC000300824160 571964123 /nfs/dbraw/zinc/96/41/23/571964123.db2.gz BHWVQALTYRDBRC-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C[C@@H](C)CC(C)C)[NH2+]CC ZINC000300824162 571965339 /nfs/dbraw/zinc/96/53/39/571965339.db2.gz BHWVQALTYRDBRC-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@@H](C[C@@H](C)CC(C)C)[NH2+]CC ZINC000300824164 571965135 /nfs/dbraw/zinc/96/51/35/571965135.db2.gz BHWVQALTYRDBRC-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[NH2+]CC1CCCCCCC1 ZINC000300832239 571979781 /nfs/dbraw/zinc/97/97/81/571979781.db2.gz HXMNYONFVFOGAS-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=C(C)CC[C@@H]([NH2+]C)[C@H](C)CCCC ZINC000300851529 571988185 /nfs/dbraw/zinc/98/81/85/571988185.db2.gz BDVGYGSXYNQGCC-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC[C@H]([NH2+]C)[C@H](C)CCCC ZINC000300851533 571986538 /nfs/dbraw/zinc/98/65/38/571986538.db2.gz BDVGYGSXYNQGCC-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000300851536 571987657 /nfs/dbraw/zinc/98/76/57/571987657.db2.gz BDVGYGSXYNQGCC-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC[C@H]([NH2+]C)[C@@H](C)CCCC ZINC000300851540 571987209 /nfs/dbraw/zinc/98/72/09/571987209.db2.gz BDVGYGSXYNQGCC-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@@H](C)[NH2+]CC1CCCCCCC1 ZINC000300869949 571994871 /nfs/dbraw/zinc/99/48/71/571994871.db2.gz POEHFYIKMIZKSG-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@H](C)[NH2+]CC1CCCCCCC1 ZINC000300870607 571998687 /nfs/dbraw/zinc/99/86/87/571998687.db2.gz POEHFYIKMIZKSG-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H](CCC(C)(C)C)[NH2+]CCC ZINC000300872565 571997141 /nfs/dbraw/zinc/99/71/41/571997141.db2.gz NMBRUYHEQLQOKU-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H](CCC(C)(C)C)[NH2+]C ZINC000300874985 571997458 /nfs/dbraw/zinc/99/74/58/571997458.db2.gz NREDCXRJGCGQRS-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CC)[C@H](C)CCCC ZINC000300875445 571999886 /nfs/dbraw/zinc/99/98/86/571999886.db2.gz FIUQIZDXNDIGST-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H]([NH2+]CC)[C@H](C)CCCC ZINC000300875446 571999948 /nfs/dbraw/zinc/99/99/48/571999948.db2.gz FIUQIZDXNDIGST-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CC)[C@@H](C)CCCC ZINC000300875447 571999904 /nfs/dbraw/zinc/99/99/04/571999904.db2.gz FIUQIZDXNDIGST-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](CCC(C)(C)C)[NH2+]C ZINC000300899440 572033599 /nfs/dbraw/zinc/03/35/99/572033599.db2.gz QQWDQPRHGYWPKN-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H](CCC(C)(C)C)[NH2+]C ZINC000300899441 572034924 /nfs/dbraw/zinc/03/49/24/572034924.db2.gz QQWDQPRHGYWPKN-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H]([NH2+]CCC)[C@H](C)CCCC ZINC000300906021 572037110 /nfs/dbraw/zinc/03/71/10/572037110.db2.gz JLTLTIDWGUHPHJ-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H]([NH2+]CCC)[C@H](C)CCCC ZINC000300906024 572037048 /nfs/dbraw/zinc/03/70/48/572037048.db2.gz JLTLTIDWGUHPHJ-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H]([NH2+]CCC)[C@@H](C)CCCC ZINC000300906025 572037870 /nfs/dbraw/zinc/03/78/70/572037870.db2.gz JLTLTIDWGUHPHJ-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H]([NH2+]CCC)[C@@H](C)CCCC ZINC000300906028 572037614 /nfs/dbraw/zinc/03/76/14/572037614.db2.gz JLTLTIDWGUHPHJ-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@@H](CCC(C)(C)C)[NH2+]CC ZINC000300917596 572048389 /nfs/dbraw/zinc/04/83/89/572048389.db2.gz STKWCXNYMXIUOU-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[C@H](CCC(C)(C)C)[NH2+]CC ZINC000300917598 572046800 /nfs/dbraw/zinc/04/68/00/572046800.db2.gz STKWCXNYMXIUOU-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H](CCCC(C)(C)C)[NH2+]CC ZINC000300919772 572055073 /nfs/dbraw/zinc/05/50/73/572055073.db2.gz SYCPGWRHAMBYJJ-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H](CCCC(C)(C)C)[NH2+]CC ZINC000300919773 572054431 /nfs/dbraw/zinc/05/44/31/572054431.db2.gz SYCPGWRHAMBYJJ-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@@](C)(CCCC(C)(C)C)C[NH2+]C ZINC000300954757 572142004 /nfs/dbraw/zinc/14/20/04/572142004.db2.gz XTBNSYYNTQKXER-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO CCCCCCC[C@@]1(C)[C@@H]([NH3+])C1(C)C ZINC000300969137 572188119 /nfs/dbraw/zinc/18/81/19/572188119.db2.gz JBTBRLBMDXKTHW-AAEUAGOBSA-N 1 0 197.366 3.720 10 30 AHEERO CCCCCCC[C@]1(C)[C@H]([NH3+])C1(C)C ZINC000300969140 572188970 /nfs/dbraw/zinc/18/89/70/572188970.db2.gz JBTBRLBMDXKTHW-DGCLKSJQSA-N 1 0 197.366 3.720 10 30 AHEERO CCCCCCC[C@]1(C)[C@@H]([NH3+])C1(C)C ZINC000300969143 572188586 /nfs/dbraw/zinc/18/85/86/572188586.db2.gz JBTBRLBMDXKTHW-WCQYABFASA-N 1 0 197.366 3.720 10 30 AHEERO CCCCCCC[C@@]1(C)[C@H]([NH3+])C1(C)C ZINC000300969147 572190370 /nfs/dbraw/zinc/19/03/70/572190370.db2.gz JBTBRLBMDXKTHW-YPMHNXCESA-N 1 0 197.366 3.720 10 30 AHEERO C=CCCC[C@H]([NH2+]C)[C@H](C)CCCC ZINC000300983480 572221810 /nfs/dbraw/zinc/22/18/10/572221810.db2.gz URVKJUMPLBZAJO-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000300983481 572220464 /nfs/dbraw/zinc/22/04/64/572220464.db2.gz URVKJUMPLBZAJO-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H]([NH2+]C)[C@@H](C)CCCC ZINC000300983482 572222609 /nfs/dbraw/zinc/22/26/09/572222609.db2.gz URVKJUMPLBZAJO-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]C)[C@H](C)CCCC ZINC000301004422 571773124 /nfs/dbraw/zinc/77/31/24/571773124.db2.gz YNUBIUNXIVMRRV-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]C)[C@H](C)CCCC ZINC000301004424 571773932 /nfs/dbraw/zinc/77/39/32/571773932.db2.gz YNUBIUNXIVMRRV-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000301004425 571771382 /nfs/dbraw/zinc/77/13/82/571771382.db2.gz YNUBIUNXIVMRRV-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(CC)C[C@H]([NH2+]C)[C@@H](C)CCCC ZINC000301004427 571773798 /nfs/dbraw/zinc/77/37/98/571773798.db2.gz YNUBIUNXIVMRRV-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@@H]([NH2+]CCC)[C@H](C)CCCC ZINC000301007104 571781336 /nfs/dbraw/zinc/78/13/36/571781336.db2.gz ZBURZQBOPKLFBQ-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@H]([NH2+]CCC)[C@H](C)CCCC ZINC000301007105 571779670 /nfs/dbraw/zinc/77/96/70/571779670.db2.gz ZBURZQBOPKLFBQ-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@@H]([NH2+]CCC)[C@@H](C)CCCC ZINC000301007106 571780162 /nfs/dbraw/zinc/78/01/62/571780162.db2.gz ZBURZQBOPKLFBQ-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)[C@H]([NH2+]CCC)[C@@H](C)CCCC ZINC000301007107 571779412 /nfs/dbraw/zinc/77/94/12/571779412.db2.gz ZBURZQBOPKLFBQ-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CC)[C@H](C)CCCC ZINC000301010565 571783245 /nfs/dbraw/zinc/78/32/45/571783245.db2.gz ZVXYSYAHZWRYMJ-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H]([NH2+]CC)[C@H](C)CCCC ZINC000301010567 571783229 /nfs/dbraw/zinc/78/32/29/571783229.db2.gz ZVXYSYAHZWRYMJ-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H]([NH2+]CC)[C@@H](C)CCCC ZINC000301010569 571782986 /nfs/dbraw/zinc/78/29/86/571782986.db2.gz ZVXYSYAHZWRYMJ-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)CC1(C[NH3+])CCCCCCC1 ZINC000306550683 345426185 /nfs/dbraw/zinc/42/61/85/345426185.db2.gz ZKQKMWJYKMHGJC-UHFFFAOYSA-N 1 0 195.350 3.642 10 30 AHEERO C=C(C)C[C@@H]([NH3+])[C@H](CCC)CC(C)C ZINC000308043187 572507322 /nfs/dbraw/zinc/50/73/22/572507322.db2.gz CUSFRWGWOMOKTD-CHWSQXEVSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@H]([NH3+])[C@H](CCC)CC(C)C ZINC000308043190 572508321 /nfs/dbraw/zinc/50/83/21/572508321.db2.gz CUSFRWGWOMOKTD-OLZOCXBDSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@@H]([NH3+])[C@@H](CCC)CC(C)C ZINC000308043192 572509068 /nfs/dbraw/zinc/50/90/68/572509068.db2.gz CUSFRWGWOMOKTD-QWHCGFSZSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)C[C@H]([NH3+])[C@@H](CCC)CC(C)C ZINC000308043193 572507969 /nfs/dbraw/zinc/50/79/69/572507969.db2.gz CUSFRWGWOMOKTD-STQMWFEESA-N 1 0 197.366 3.742 10 30 AHEERO C=C[C@@H]([NH2+]CC)[C@H](CCC)CC(C)C ZINC000308049917 572518208 /nfs/dbraw/zinc/51/82/08/572518208.db2.gz KYFOVNXCFZKHCR-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H]([NH2+]CC)[C@H](CCC)CC(C)C ZINC000308049918 572520512 /nfs/dbraw/zinc/52/05/12/572520512.db2.gz KYFOVNXCFZKHCR-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@@H]([NH2+]CC)[C@@H](CCC)CC(C)C ZINC000308049919 572519222 /nfs/dbraw/zinc/51/92/22/572519222.db2.gz KYFOVNXCFZKHCR-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H]([NH2+]CC)[C@@H](CCC)CC(C)C ZINC000308049920 572519808 /nfs/dbraw/zinc/51/98/08/572519808.db2.gz KYFOVNXCFZKHCR-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)CC[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308057248 572544814 /nfs/dbraw/zinc/54/48/14/572544814.db2.gz CSCAQOMMPPYFSD-CHWSQXEVSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)CC[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308057256 572541827 /nfs/dbraw/zinc/54/18/27/572541827.db2.gz CSCAQOMMPPYFSD-OLZOCXBDSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)CC[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308057260 572542357 /nfs/dbraw/zinc/54/23/57/572542357.db2.gz CSCAQOMMPPYFSD-QWHCGFSZSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)CC[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308057265 572545672 /nfs/dbraw/zinc/54/56/72/572545672.db2.gz CSCAQOMMPPYFSD-STQMWFEESA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@@H]([NH2+]C)[C@H](CCC)CC(C)C ZINC000308059744 572546878 /nfs/dbraw/zinc/54/68/78/572546878.db2.gz FZTOBUIOQPWFIO-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H]([NH2+]C)[C@H](CCC)CC(C)C ZINC000308059745 572546614 /nfs/dbraw/zinc/54/66/14/572546614.db2.gz FZTOBUIOQPWFIO-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@@H]([NH2+]C)[C@@H](CCC)CC(C)C ZINC000308059747 572547564 /nfs/dbraw/zinc/54/75/64/572547564.db2.gz FZTOBUIOQPWFIO-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H]([NH2+]C)[C@@H](CCC)CC(C)C ZINC000308059749 572546272 /nfs/dbraw/zinc/54/62/72/572546272.db2.gz FZTOBUIOQPWFIO-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308066076 572583829 /nfs/dbraw/zinc/58/38/29/572583829.db2.gz MXJZFLRXGBJOTP-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308066077 572583031 /nfs/dbraw/zinc/58/30/31/572583031.db2.gz MXJZFLRXGBJOTP-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308066078 572583215 /nfs/dbraw/zinc/58/32/15/572583215.db2.gz MXJZFLRXGBJOTP-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[C@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308066079 572583862 /nfs/dbraw/zinc/58/38/62/572583862.db2.gz MXJZFLRXGBJOTP-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H]([NH3+])[C@H](CCC)CC(C)C ZINC000308067566 572583937 /nfs/dbraw/zinc/58/39/37/572583937.db2.gz YGYSYCFGZPKSCP-CHWSQXEVSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@H]([NH3+])[C@H](CCC)CC(C)C ZINC000308067567 572582585 /nfs/dbraw/zinc/58/25/85/572582585.db2.gz YGYSYCFGZPKSCP-OLZOCXBDSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@@H]([NH3+])[C@@H](CCC)CC(C)C ZINC000308067569 572584358 /nfs/dbraw/zinc/58/43/58/572584358.db2.gz YGYSYCFGZPKSCP-QWHCGFSZSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@H]([NH3+])[C@@H](CCC)CC(C)C ZINC000308067571 572582938 /nfs/dbraw/zinc/58/29/38/572582938.db2.gz YGYSYCFGZPKSCP-STQMWFEESA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308070988 572602532 /nfs/dbraw/zinc/60/25/32/572602532.db2.gz RMBOWKWFQOFONB-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H]([NH2+]C)[C@H](CC)CC(C)C ZINC000308070992 572601547 /nfs/dbraw/zinc/60/15/47/572601547.db2.gz RMBOWKWFQOFONB-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308070998 572602660 /nfs/dbraw/zinc/60/26/60/572602660.db2.gz RMBOWKWFQOFONB-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H]([NH2+]C)[C@@H](CC)CC(C)C ZINC000308071005 572602669 /nfs/dbraw/zinc/60/26/69/572602669.db2.gz RMBOWKWFQOFONB-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308071142 572601764 /nfs/dbraw/zinc/60/17/64/572601764.db2.gz RRXQMLULQJCCDN-CHWSQXEVSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308071146 572600703 /nfs/dbraw/zinc/60/07/03/572600703.db2.gz RRXQMLULQJCCDN-OLZOCXBDSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308071147 572602507 /nfs/dbraw/zinc/60/25/07/572602507.db2.gz RRXQMLULQJCCDN-QWHCGFSZSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(CC)C[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308071152 572600182 /nfs/dbraw/zinc/60/01/82/572600182.db2.gz RRXQMLULQJCCDN-STQMWFEESA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@@H]([NH3+])[C@H](CC)CC(C)C ZINC000308071459 572601274 /nfs/dbraw/zinc/60/12/74/572601274.db2.gz RXAJCIGRQXHDHD-CHWSQXEVSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@H]([NH3+])[C@H](CC)CC(C)C ZINC000308071465 572602647 /nfs/dbraw/zinc/60/26/47/572602647.db2.gz RXAJCIGRQXHDHD-OLZOCXBDSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308071471 572599361 /nfs/dbraw/zinc/59/93/61/572599361.db2.gz RXAJCIGRQXHDHD-QWHCGFSZSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCCC[C@H]([NH3+])[C@@H](CC)CC(C)C ZINC000308071478 572600823 /nfs/dbraw/zinc/60/08/23/572600823.db2.gz RXAJCIGRQXHDHD-STQMWFEESA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308096286 572700776 /nfs/dbraw/zinc/70/07/76/572700776.db2.gz MZRVQFSKEXANGD-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308096287 572698776 /nfs/dbraw/zinc/69/87/76/572698776.db2.gz MZRVQFSKEXANGD-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)[C@H](CC)CC(C)C ZINC000308102412 572733325 /nfs/dbraw/zinc/73/33/25/572733325.db2.gz SIIRKMHTIZNGDE-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)[C@H](CC)CC(C)C ZINC000308102413 572733265 /nfs/dbraw/zinc/73/32/65/572733265.db2.gz SIIRKMHTIZNGDE-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308102414 572733877 /nfs/dbraw/zinc/73/38/77/572733877.db2.gz SIIRKMHTIZNGDE-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)[C@H]([NH2+]CC)[C@@H](CC)CC(C)C ZINC000308102415 572732031 /nfs/dbraw/zinc/73/20/31/572732031.db2.gz SIIRKMHTIZNGDE-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H]([NH2+]CCC)[C@@H](CC)CC(C)C ZINC000308108712 572741371 /nfs/dbraw/zinc/74/13/71/572741371.db2.gz XXOLHUJZNWWXKV-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO CCCCCC/C=C(\C)CCC[NH3+] ZINC000308129481 572784261 /nfs/dbraw/zinc/78/42/61/572784261.db2.gz HGKUSNZOPREFKI-FMIVXFBMSA-N 1 0 183.339 3.642 10 30 AHEERO CCCCCC/C=C(/C)CCC[NH3+] ZINC000308129482 572783960 /nfs/dbraw/zinc/78/39/60/572783960.db2.gz HGKUSNZOPREFKI-XFXZXTDPSA-N 1 0 183.339 3.642 10 30 AHEERO C=CCCC[NH2+]CCCCCCC ZINC000308132857 572806940 /nfs/dbraw/zinc/80/69/40/572806940.db2.gz GDELBLXBXDIJDZ-UHFFFAOYSA-N 1 0 183.339 3.513 10 30 AHEERO CCCCCCC[C@@H](C)CCC[NH3+] ZINC000308138108 572808896 /nfs/dbraw/zinc/80/88/96/572808896.db2.gz QBGQTFORUFJWLV-GFCCVEGCSA-N 1 0 185.355 3.722 10 30 AHEERO CCCCCCC[C@H](C)CCC[NH3+] ZINC000308138109 572810420 /nfs/dbraw/zinc/81/04/20/572810420.db2.gz QBGQTFORUFJWLV-LBPRGKRZSA-N 1 0 185.355 3.722 10 30 AHEERO CCCCCC/C=C\C[NH2+]CCCC ZINC000308256435 573103927 /nfs/dbraw/zinc/10/39/27/573103927.db2.gz MCYNHKBOFREMLM-KHPPLWFESA-N 1 0 197.366 3.903 10 30 AHEERO CCCCCC/C=C1\CCC[NH2+]CC1 ZINC000308343058 573306297 /nfs/dbraw/zinc/30/62/97/573306297.db2.gz KOXXNMVPVAXAKB-MDWZMJQESA-N 1 0 195.350 3.657 10 30 AHEERO C=CCCC[C@@H](C)[NH2+][C@@H](C)CCC ZINC000308372449 573388277 /nfs/dbraw/zinc/38/82/77/573388277.db2.gz QTDZHGOQIILUON-NWDGAFQWSA-N 1 0 183.339 3.509 10 30 AHEERO C=C(C)CC/C=C\CC[NH2+]CC(C)C ZINC000308387149 573414367 /nfs/dbraw/zinc/41/43/67/573414367.db2.gz NODWSHYHUPQHTE-WAYWQWQTSA-N 1 0 195.350 3.535 10 30 AHEERO C=C(C)CC/C(C)=C/CC[NH2+]CCC ZINC000308387625 573415420 /nfs/dbraw/zinc/41/54/20/573415420.db2.gz QBVYLFJKKZZUPK-NTUHNPAUSA-N 1 0 195.350 3.679 10 30 AHEERO C/C=C\CC[NH2+]CCCCCCCC ZINC000308389926 573442765 /nfs/dbraw/zinc/44/27/65/573442765.db2.gz IEIPXUJFKMXNQP-XQRVVYSFSA-N 1 0 197.366 3.903 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]C(CC)CC ZINC000308441466 573795333 /nfs/dbraw/zinc/79/53/33/573795333.db2.gz ZAARNTJBMZBRAU-GFCCVEGCSA-N 1 0 183.339 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+]C(CC)CC ZINC000308441468 573793713 /nfs/dbraw/zinc/79/37/13/573793713.db2.gz ZAARNTJBMZBRAU-LBPRGKRZSA-N 1 0 183.339 3.509 10 30 AHEERO C=CCCCC[NH2+]CCCCCCC ZINC000308450890 573831598 /nfs/dbraw/zinc/83/15/98/573831598.db2.gz BKPVHFPNUCFGKZ-UHFFFAOYSA-N 1 0 197.366 3.903 10 30 AHEERO C=CCCCC[NH2+]C[C@@H](C)CC(C)C ZINC000308453436 573847329 /nfs/dbraw/zinc/84/73/29/573847329.db2.gz CKIFHUDQMTVMIA-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO C=CCCCCC/C(C)=C/CC[NH2+]C ZINC000308456326 573857062 /nfs/dbraw/zinc/85/70/62/573857062.db2.gz XGJLJPWEDHDULL-ACCUITESSA-N 1 0 195.350 3.679 10 30 AHEERO C=CCCCC[NH2+][C@H](CCC)C1CC1 ZINC000308460993 573902685 /nfs/dbraw/zinc/90/26/85/573902685.db2.gz FQDJOQJPLGZDSG-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[NH2+][C@@H](CCC)C1CC1 ZINC000308461648 573906403 /nfs/dbraw/zinc/90/64/03/573906403.db2.gz FQDJOQJPLGZDSG-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[NH2+]CCCC(C)(C)C ZINC000308470241 573944192 /nfs/dbraw/zinc/94/41/92/573944192.db2.gz IJIVIMPLCFGYOD-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCCCCC[NH2+]C(CC)CC ZINC000308472916 573005998 /nfs/dbraw/zinc/00/59/98/573005998.db2.gz CJXOXNDBPUGQPE-UHFFFAOYSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCCCC[NH2+]CC(C)(C)C ZINC000308477550 573029006 /nfs/dbraw/zinc/02/90/06/573029006.db2.gz FLVCQSNTXARJJG-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=C(C)CC[NH2+]CCC1(C)CCCC1 ZINC000308478582 573029102 /nfs/dbraw/zinc/02/91/02/573029102.db2.gz FUDVJLVJISQSOJ-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCC[C@@H]([NH2+]C)C1(CCC)CC1 ZINC000308484008 573023135 /nfs/dbraw/zinc/02/31/35/573023135.db2.gz IGRCSNZDABYDOA-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@H]([NH2+]C)C1(CCC)CC1 ZINC000308484009 573021708 /nfs/dbraw/zinc/02/17/08/573021708.db2.gz IGRCSNZDABYDOA-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[NH2+]CCC1CCCC1 ZINC000308484837 573019725 /nfs/dbraw/zinc/01/97/25/573019725.db2.gz NSOYNSZJXADZDS-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCCC[NH2+][C@H](CC)CCCC ZINC000308488185 573059222 /nfs/dbraw/zinc/05/92/22/573059222.db2.gz PGVZSBSHGSVOEP-CYBMUJFWSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCCC[NH2+][C@@H](CC)CCCC ZINC000308488187 573057568 /nfs/dbraw/zinc/05/75/68/573057568.db2.gz PGVZSBSHGSVOEP-ZDUSSCGKSA-N 1 0 197.366 3.901 10 30 AHEERO C=CCCC[C@@H](C)[NH2+]CC(CC)CC ZINC000308489087 573075672 /nfs/dbraw/zinc/07/56/72/573075672.db2.gz AYCMPGNSSAPQIY-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[C@H](C)[NH2+]CC(CC)CC ZINC000308489088 573075655 /nfs/dbraw/zinc/07/56/55/573075655.db2.gz AYCMPGNSSAPQIY-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=C(C)C[NH2+][C@@H](CC(C)C)C(C)(C)C ZINC000308489723 573075302 /nfs/dbraw/zinc/07/53/02/573075302.db2.gz BCJPBBYGMPUHIV-LBPRGKRZSA-N 1 0 197.366 3.613 10 30 AHEERO C=C(C)C[NH2+]C(C)(C)C1CCCCC1 ZINC000308491712 573080975 /nfs/dbraw/zinc/08/09/75/573080975.db2.gz BURPQNZQALCLCK-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[C@@H]([NH3+])C(C(C)C)C(C)C ZINC000308495635 573104211 /nfs/dbraw/zinc/10/42/11/573104211.db2.gz SRPFWDLVOYWMPE-GFCCVEGCSA-N 1 0 197.366 3.598 10 30 AHEERO C=C(CC)C[C@H]([NH3+])C(C(C)C)C(C)C ZINC000308495636 573103706 /nfs/dbraw/zinc/10/37/06/573103706.db2.gz SRPFWDLVOYWMPE-LBPRGKRZSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@@H](C)[C@H](C)[NH2+]CC(CC)CC ZINC000308501628 573099112 /nfs/dbraw/zinc/09/91/12/573099112.db2.gz GXARRIURLRAEAX-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+]CC(CC)CC ZINC000308501630 573100020 /nfs/dbraw/zinc/10/00/20/573100020.db2.gz GXARRIURLRAEAX-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+]CC(CC)CC ZINC000308501631 573098033 /nfs/dbraw/zinc/09/80/33/573098033.db2.gz GXARRIURLRAEAX-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(CC)CC ZINC000308501633 573098781 /nfs/dbraw/zinc/09/87/81/573098781.db2.gz GXARRIURLRAEAX-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCCCCCC[NH2+]C1CCC1 ZINC000308504705 573151543 /nfs/dbraw/zinc/15/15/43/573151543.db2.gz IEPOGBOSAYDPML-UHFFFAOYSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+]C1CCCC1 ZINC000308504731 573148007 /nfs/dbraw/zinc/14/80/07/573148007.db2.gz IFEQNBVHLJCTRB-GFCCVEGCSA-N 1 0 195.350 3.654 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]C1CCCC1 ZINC000308504732 573150042 /nfs/dbraw/zinc/15/00/42/573150042.db2.gz IFEQNBVHLJCTRB-LBPRGKRZSA-N 1 0 195.350 3.654 10 30 AHEERO C=C(CC)C[NH2+]CC(C)(C)C(C)(C)C ZINC000308509779 573177907 /nfs/dbraw/zinc/17/79/07/573177907.db2.gz IOFATCVYRTXHMM-UHFFFAOYSA-N 1 0 197.366 3.615 10 30 AHEERO C=C(C)CCC1(C[NH3+])CCCCCC1 ZINC000308513645 573191054 /nfs/dbraw/zinc/19/10/54/573191054.db2.gz DFIOZQOOBUBZSC-UHFFFAOYSA-N 1 0 195.350 3.642 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)CCC ZINC000308516062 573193724 /nfs/dbraw/zinc/19/37/24/573193724.db2.gz MVTIGWBOEXGCOW-RWMBFGLXSA-N 1 0 197.366 3.755 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CC)CCC ZINC000308516063 573193383 /nfs/dbraw/zinc/19/33/83/573193383.db2.gz MVTIGWBOEXGCOW-XQQFMLRXSA-N 1 0 197.366 3.755 10 30 AHEERO C=C(C)C[NH2+]C1CCC(C)(CC)CC1 ZINC000308522282 573247082 /nfs/dbraw/zinc/24/70/82/573247082.db2.gz PHAYULYWKRXPKA-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+]C(C)(C)C1CCCC1 ZINC000308526162 573235263 /nfs/dbraw/zinc/23/52/63/573235263.db2.gz QSZBDTGSNAHVQS-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]([NH2+]CCC)C1(CCC)CC1 ZINC000308526313 573239368 /nfs/dbraw/zinc/23/93/68/573239368.db2.gz JCDYEQRECQWCOV-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H]([NH2+]CCC)C1(CCC)CC1 ZINC000308526315 573239659 /nfs/dbraw/zinc/23/96/59/573239659.db2.gz JCDYEQRECQWCOV-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCCC[NH2+]C[C@H](C)CC ZINC000308535199 573274417 /nfs/dbraw/zinc/27/44/17/573274417.db2.gz MAAWSYVATGXQKE-CYBMUJFWSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCCCCC[NH2+]C[C@@H](C)CC ZINC000308535203 573274377 /nfs/dbraw/zinc/27/43/77/573274377.db2.gz MAAWSYVATGXQKE-ZDUSSCGKSA-N 1 0 197.366 3.759 10 30 AHEERO C=CCCCCC[C@@H]([NH3+])C1(CC)CC1 ZINC000308538372 573285655 /nfs/dbraw/zinc/28/56/55/573285655.db2.gz MYEJSISPRHUIHV-GFCCVEGCSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCC[C@H]([NH3+])C1(CC)CC1 ZINC000308538376 573281783 /nfs/dbraw/zinc/28/17/83/573281783.db2.gz MYEJSISPRHUIHV-LBPRGKRZSA-N 1 0 195.350 3.640 10 30 AHEERO C=CCCCCCC[NH2+]CCC(C)C ZINC000308541474 573287145 /nfs/dbraw/zinc/28/71/45/573287145.db2.gz ODCKIIDGCDOXPE-UHFFFAOYSA-N 1 0 197.366 3.759 10 30 AHEERO C=C(C)C[C@@H]([NH2+]CC)C1(CCC)CC1 ZINC000308545186 573306742 /nfs/dbraw/zinc/30/67/42/573306742.db2.gz PJGFWOFUHBJPHO-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@H]([NH2+]CC)C1(CCC)CC1 ZINC000308545187 573308188 /nfs/dbraw/zinc/30/81/88/573308188.db2.gz PJGFWOFUHBJPHO-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)C ZINC000308545650 573312272 /nfs/dbraw/zinc/31/22/72/573312272.db2.gz VUPMDBNDIHRAPC-AVGNSLFASA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC(C)C ZINC000308545651 573312837 /nfs/dbraw/zinc/31/28/37/573312837.db2.gz VUPMDBNDIHRAPC-RWMBFGLXSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC(C)C ZINC000308545653 573313814 /nfs/dbraw/zinc/31/38/14/573313814.db2.gz VUPMDBNDIHRAPC-XQQFMLRXSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(C)C ZINC000308545654 573315106 /nfs/dbraw/zinc/31/51/06/573315106.db2.gz VUPMDBNDIHRAPC-YNEHKIRRSA-N 1 0 197.366 3.611 10 30 AHEERO C=C(C)C[NH2+]CCC1CCCCCC1 ZINC000308549326 573331665 /nfs/dbraw/zinc/33/16/65/573331665.db2.gz WWMBKKMMLPDMFP-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCCCCC[NH2+]CC1CCC1 ZINC000308550574 573676294 /nfs/dbraw/zinc/67/62/94/573676294.db2.gz RQXXUTQVHCSFGD-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCC[NH2+]C(C)(C)C1CCCCC1 ZINC000308553985 573342059 /nfs/dbraw/zinc/34/20/59/573342059.db2.gz YQNSSIUZTLJAAZ-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000308555930 573341981 /nfs/dbraw/zinc/34/19/81/573341981.db2.gz ZGLXQQUVAAOXKM-GFCCVEGCSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[NH2+]CC(C)(C)CC(C)C ZINC000308555932 573338532 /nfs/dbraw/zinc/33/85/32/573338532.db2.gz ZGLXQQUVAAOXKM-LBPRGKRZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCCCCCC[NH2+]CCC(=C)C ZINC000308557704 573346208 /nfs/dbraw/zinc/34/62/08/573346208.db2.gz UZUZFMNTYYDZLT-UHFFFAOYSA-N 1 0 195.350 3.679 10 30 AHEERO CCCCCCCCC[C@@H]1C=CC[NH2+]1 ZINC000308558443 573353671 /nfs/dbraw/zinc/35/36/71/573353671.db2.gz UQCFSUXSUWZLGL-CYBMUJFWSA-N 1 0 195.350 3.655 10 30 AHEERO CCCCCCCCC[C@H]1C=CC[NH2+]1 ZINC000308558446 573351768 /nfs/dbraw/zinc/35/17/68/573351768.db2.gz UQCFSUXSUWZLGL-ZDUSSCGKSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCCCCCC[NH2+]CC=C(C)C ZINC000308559142 573351667 /nfs/dbraw/zinc/35/16/67/573351667.db2.gz WFKYYYKSKHQUJP-UHFFFAOYSA-N 1 0 195.350 3.679 10 30 AHEERO C=CCC[C@@H]([NH2+]CCC)C1(CC)CC1 ZINC000308560602 573334988 /nfs/dbraw/zinc/33/49/88/573334988.db2.gz XCPOXOQSDJWWDC-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H]([NH2+]CCC)C1(CC)CC1 ZINC000308560603 573336118 /nfs/dbraw/zinc/33/61/18/573336118.db2.gz XCPOXOQSDJWWDC-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@@H]([NH2+]CCC)C1(CCC)CC1 ZINC000308563068 573360122 /nfs/dbraw/zinc/36/01/22/573360122.db2.gz YPYUZBXXAIKQOF-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)[C@H]([NH2+]CCC)C1(CCC)CC1 ZINC000308563070 573361672 /nfs/dbraw/zinc/36/16/72/573361672.db2.gz YPYUZBXXAIKQOF-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H]([NH2+]CC)C1(CCC)CC1 ZINC000308564505 573366918 /nfs/dbraw/zinc/36/69/18/573366918.db2.gz ZLZVBYCZLFXRBJ-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[C@@H]([NH2+]CC)C1(CC)CC1 ZINC000308564860 573367540 /nfs/dbraw/zinc/36/75/40/573367540.db2.gz ZMMMTDZPDYOMLA-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[C@H]([NH2+]CC)C1(CC)CC1 ZINC000308564861 573368786 /nfs/dbraw/zinc/36/87/86/573368786.db2.gz ZMMMTDZPDYOMLA-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCCC1(C[NH3+])CCCC1 ZINC000308564979 573373340 /nfs/dbraw/zinc/37/33/40/573373340.db2.gz XWLMCQZBKKYPNI-UHFFFAOYSA-N 1 0 195.350 3.642 10 30 AHEERO CCCCCCC[NH2+]C(C)(C)C(C)C ZINC000308574647 573406939 /nfs/dbraw/zinc/40/69/39/573406939.db2.gz CZKJJGJHIHPVAG-UHFFFAOYSA-N 1 0 199.382 3.981 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+]C(CC)CC ZINC000308575161 573405942 /nfs/dbraw/zinc/40/59/42/573405942.db2.gz DDTLHJZEUXYBOB-CYBMUJFWSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]C(CC)CC ZINC000308575163 573408026 /nfs/dbraw/zinc/40/80/26/573408026.db2.gz DDTLHJZEUXYBOB-ZDUSSCGKSA-N 1 0 197.366 3.900 10 30 AHEERO C=CC[C@@H](CC)[NH2+][C@H](CCC)C1CC1 ZINC000308577197 573413383 /nfs/dbraw/zinc/41/33/83/573413383.db2.gz DYFTXJLPSAOPSH-CHWSQXEVSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](CC)[NH2+][C@H](CCC)C1CC1 ZINC000308577199 573411820 /nfs/dbraw/zinc/41/18/20/573411820.db2.gz DYFTXJLPSAOPSH-QWHCGFSZSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+]C[C@@H](CC)C(C)C ZINC000308579793 573415581 /nfs/dbraw/zinc/41/55/81/573415581.db2.gz GBXYYXRYNGEVCL-CHWSQXEVSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@@H](C)[NH2+]C[C@H](CC)C(C)C ZINC000308579794 573415857 /nfs/dbraw/zinc/41/58/57/573415857.db2.gz GBXYYXRYNGEVCL-OLZOCXBDSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H](C)[NH2+]C[C@@H](CC)C(C)C ZINC000308579795 573414927 /nfs/dbraw/zinc/41/49/27/573414927.db2.gz GBXYYXRYNGEVCL-QWHCGFSZSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H](C)[NH2+]C[C@H](CC)C(C)C ZINC000308579796 573414654 /nfs/dbraw/zinc/41/46/54/573414654.db2.gz GBXYYXRYNGEVCL-STQMWFEESA-N 1 0 197.366 3.613 10 30 AHEERO C=C(CC)C[NH2+]C(C)(C)C1CCCC1 ZINC000308580714 573419448 /nfs/dbraw/zinc/41/94/48/573419448.db2.gz GJEGZFLCMQRRKT-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCC[NH2+][C@H](CC)C(C)(C)C ZINC000308587744 491113050 /nfs/dbraw/zinc/11/30/50/491113050.db2.gz JACUBIDDVDYVHR-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000308587746 491113166 /nfs/dbraw/zinc/11/31/66/491113166.db2.gz JACUBIDDVDYVHR-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+][C@H](C)CCC ZINC000308591433 573455562 /nfs/dbraw/zinc/45/55/62/573455562.db2.gz KMSOLEPVJDNDCA-CHWSQXEVSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@H](CCC)[NH2+][C@H](C)CCC ZINC000308591436 573455620 /nfs/dbraw/zinc/45/56/20/573455620.db2.gz KMSOLEPVJDNDCA-OLZOCXBDSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CCC ZINC000308591438 573453005 /nfs/dbraw/zinc/45/30/05/573453005.db2.gz KMSOLEPVJDNDCA-QWHCGFSZSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@H](CCC)[NH2+][C@@H](C)CCC ZINC000308591441 573457935 /nfs/dbraw/zinc/45/79/35/573457935.db2.gz KMSOLEPVJDNDCA-STQMWFEESA-N 1 0 197.366 3.900 10 30 AHEERO C=CCCCCCC[NH2+]CC(=C)CC ZINC000308591938 573460740 /nfs/dbraw/zinc/46/07/40/573460740.db2.gz KQUDHPGHQROCGX-UHFFFAOYSA-N 1 0 195.350 3.679 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]CC(CC)CC ZINC000308592352 573461361 /nfs/dbraw/zinc/46/13/61/573461361.db2.gz KVEHBPAYGPINDW-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CC)[NH2+]CC(CC)CC ZINC000308592353 573461153 /nfs/dbraw/zinc/46/11/53/573461153.db2.gz KVEHBPAYGPINDW-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=C[C@H](C)[NH2+]C1CCC(C)(CC)CC1 ZINC000308593211 573454068 /nfs/dbraw/zinc/45/40/68/573454068.db2.gz LDOBCLPMXGGYMB-HIFPTAJRSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@@H](C)[NH2+]C1CCC(C)(CC)CC1 ZINC000308593212 573457058 /nfs/dbraw/zinc/45/70/58/573457058.db2.gz LDOBCLPMXGGYMB-PNESKVBLSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1(CC)CCC1 ZINC000308593546 573489744 /nfs/dbraw/zinc/48/97/44/573489744.db2.gz LIKUPEXZJYMOAU-NEPJUHHUSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1(CC)CCC1 ZINC000308593547 573488297 /nfs/dbraw/zinc/48/82/97/573488297.db2.gz LIKUPEXZJYMOAU-NWDGAFQWSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+]C1(CC)CCC1 ZINC000308593548 573491021 /nfs/dbraw/zinc/49/10/21/573491021.db2.gz LIKUPEXZJYMOAU-RYUDHWBXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(CC)CCC1 ZINC000308593549 573491402 /nfs/dbraw/zinc/49/14/02/573491402.db2.gz LIKUPEXZJYMOAU-VXGBXAGGSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@@H](C)CC1CC1 ZINC000308595592 573479601 /nfs/dbraw/zinc/47/96/01/573479601.db2.gz MGAIGFUHAOYWSS-AAEUAGOBSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](CC)[NH2+][C@H](C)CC1CC1 ZINC000308595593 573479128 /nfs/dbraw/zinc/47/91/28/573479128.db2.gz MGAIGFUHAOYWSS-DGCLKSJQSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](CC)[NH2+][C@@H](C)CC1CC1 ZINC000308595595 573483320 /nfs/dbraw/zinc/48/33/20/573483320.db2.gz MGAIGFUHAOYWSS-WCQYABFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H](C)CC1CC1 ZINC000308595596 573483375 /nfs/dbraw/zinc/48/33/75/573483375.db2.gz MGAIGFUHAOYWSS-YPMHNXCESA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000308595691 491113715 /nfs/dbraw/zinc/11/37/15/491113715.db2.gz MIQYFLYRCYOVKT-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000308595692 491113644 /nfs/dbraw/zinc/11/36/44/491113644.db2.gz MIQYFLYRCYOVKT-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000308595693 491113698 /nfs/dbraw/zinc/11/36/98/491113698.db2.gz MIQYFLYRCYOVKT-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000308595694 491113651 /nfs/dbraw/zinc/11/36/51/491113651.db2.gz MIQYFLYRCYOVKT-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[C@@H](C)[NH2+][C@H](C)CCCC ZINC000308596648 573480740 /nfs/dbraw/zinc/48/07/40/573480740.db2.gz MUGQZCUUTZOUCJ-CHWSQXEVSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@H](C)CCCC ZINC000308596649 573480974 /nfs/dbraw/zinc/48/09/74/573480974.db2.gz MUGQZCUUTZOUCJ-OLZOCXBDSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCCC[C@@H](C)[NH2+][C@@H](C)CCCC ZINC000308596650 573478815 /nfs/dbraw/zinc/47/88/15/573478815.db2.gz MUGQZCUUTZOUCJ-QWHCGFSZSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@@H](C)CCCC ZINC000308596652 573482920 /nfs/dbraw/zinc/48/29/20/573482920.db2.gz MUGQZCUUTZOUCJ-STQMWFEESA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+]C(C)(C)CC ZINC000308601851 573487498 /nfs/dbraw/zinc/48/74/98/573487498.db2.gz OMIISNBZPLAFIH-GFCCVEGCSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]C(C)(C)CC ZINC000308601855 573486935 /nfs/dbraw/zinc/48/69/35/573486935.db2.gz OMIISNBZPLAFIH-LBPRGKRZSA-N 1 0 197.366 3.900 10 30 AHEERO C=C[C@H](C)[NH2+][C@@H](CCCC)C1CCC1 ZINC000308602085 573509891 /nfs/dbraw/zinc/50/98/91/573509891.db2.gz OOGDDBNDIYVXJV-AAEUAGOBSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@@H](C)[NH2+][C@H](CCCC)C1CCC1 ZINC000308602092 573512189 /nfs/dbraw/zinc/51/21/89/573512189.db2.gz OOGDDBNDIYVXJV-DGCLKSJQSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@H](CCCC)C1CCC1 ZINC000308602098 573509049 /nfs/dbraw/zinc/50/90/49/573509049.db2.gz OOGDDBNDIYVXJV-WCQYABFASA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@@H](C)[NH2+][C@@H](CCCC)C1CCC1 ZINC000308602103 573512805 /nfs/dbraw/zinc/51/28/05/573512805.db2.gz OOGDDBNDIYVXJV-YPMHNXCESA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@@H](C)[NH2+]CC1(CCC)CCC1 ZINC000308623662 573569957 /nfs/dbraw/zinc/56/99/57/573569957.db2.gz VCANMEXQOADXIO-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H](C)[NH2+]CC1(CCC)CCC1 ZINC000308623663 573569421 /nfs/dbraw/zinc/56/94/21/573569421.db2.gz VCANMEXQOADXIO-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCC ZINC000308623672 573568129 /nfs/dbraw/zinc/56/81/29/573568129.db2.gz VCEPABQYKWZHPP-XQQFMLRXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H](C)[C@H](C)CC ZINC000308631494 573588834 /nfs/dbraw/zinc/58/88/34/573588834.db2.gz ZCYZHQQKYZTCRH-UPJWGTAASA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H](C)[C@@H](C)CC ZINC000308631495 573592487 /nfs/dbraw/zinc/59/24/87/573592487.db2.gz ZCYZHQQKYZTCRH-XQQFMLRXSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]C(C)(C)C(C)C ZINC000308633393 573567579 /nfs/dbraw/zinc/56/75/79/573567579.db2.gz ZWLHFOXXSVCSOE-GFCCVEGCSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](CC)[NH2+]C(C)(C)C(C)C ZINC000308633394 573568519 /nfs/dbraw/zinc/56/85/19/573568519.db2.gz ZWLHFOXXSVCSOE-LBPRGKRZSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000308638416 573585397 /nfs/dbraw/zinc/58/53/97/573585397.db2.gz DBKBUFHHWNYNHM-AGIUHOORSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000308638417 573585837 /nfs/dbraw/zinc/58/58/37/573585837.db2.gz DBKBUFHHWNYNHM-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000308638418 573580814 /nfs/dbraw/zinc/58/08/14/573580814.db2.gz DBKBUFHHWNYNHM-FRRDWIJNSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000308638419 573586349 /nfs/dbraw/zinc/58/63/49/573586349.db2.gz DBKBUFHHWNYNHM-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](C)[NH2+]CCCC(C)(C)C ZINC000308643565 573615012 /nfs/dbraw/zinc/61/50/12/573615012.db2.gz GDZMCQJYWCCXEC-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](C)[NH2+]CCCC(C)(C)C ZINC000308643566 573615541 /nfs/dbraw/zinc/61/55/41/573615541.db2.gz GDZMCQJYWCCXEC-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO CCCCCCC[C@H]1[NH2+]C[C@@]1(C)CC ZINC000308643660 573620719 /nfs/dbraw/zinc/62/07/19/573620719.db2.gz FSFLZEUMEZMBAZ-CHWSQXEVSA-N 1 0 197.366 3.735 10 30 AHEERO CCCCCCC[C@H]1[NH2+]C[C@]1(C)CC ZINC000308643661 573623335 /nfs/dbraw/zinc/62/33/35/573623335.db2.gz FSFLZEUMEZMBAZ-OLZOCXBDSA-N 1 0 197.366 3.735 10 30 AHEERO CCCCCCC[C@@H]1[NH2+]C[C@@]1(C)CC ZINC000308643662 573623396 /nfs/dbraw/zinc/62/33/96/573623396.db2.gz FSFLZEUMEZMBAZ-QWHCGFSZSA-N 1 0 197.366 3.735 10 30 AHEERO CCCCCCC[C@@H]1[NH2+]C[C@]1(C)CC ZINC000308643663 573623113 /nfs/dbraw/zinc/62/31/13/573623113.db2.gz FSFLZEUMEZMBAZ-STQMWFEESA-N 1 0 197.366 3.735 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000308644491 573622496 /nfs/dbraw/zinc/62/24/96/573622496.db2.gz GVHQKQPVTXCURL-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000308644492 573622297 /nfs/dbraw/zinc/62/22/97/573622297.db2.gz GVHQKQPVTXCURL-FRRDWIJNSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@@H](C)[C@H](C)[NH2+]C(C)(C)C(C)C ZINC000308644868 573620110 /nfs/dbraw/zinc/62/01/10/573620110.db2.gz GZUREBSELHTHMS-NEPJUHHUSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@H](C)[C@@H](C)[NH2+]C(C)(C)C(C)C ZINC000308644874 573624355 /nfs/dbraw/zinc/62/43/55/573624355.db2.gz GZUREBSELHTHMS-NWDGAFQWSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+]C(C)(C)C(C)C ZINC000308644881 573621280 /nfs/dbraw/zinc/62/12/80/573621280.db2.gz GZUREBSELHTHMS-RYUDHWBXSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C(C)(C)C(C)C ZINC000308644887 573620101 /nfs/dbraw/zinc/62/01/01/573620101.db2.gz GZUREBSELHTHMS-VXGBXAGGSA-N 1 0 197.366 3.611 10 30 AHEERO C=CCCC[C@@H](C)[NH2+]C1CCCCC1 ZINC000308646213 573600929 /nfs/dbraw/zinc/60/09/29/573600929.db2.gz HTHQREZPCMTBHC-GFCCVEGCSA-N 1 0 195.350 3.654 10 30 AHEERO C=CCCC[C@H](C)[NH2+]C1CCCCC1 ZINC000308646219 573598399 /nfs/dbraw/zinc/59/83/99/573598399.db2.gz HTHQREZPCMTBHC-LBPRGKRZSA-N 1 0 195.350 3.654 10 30 AHEERO C=CC[C@@H](C)[NH2+]CCCCC(C)(C)C ZINC000308652647 573642185 /nfs/dbraw/zinc/64/21/85/573642185.db2.gz LSPZADCLLGQTLU-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H](C)[NH2+]CCCCC(C)(C)C ZINC000308652648 573639892 /nfs/dbraw/zinc/63/98/92/573639892.db2.gz LSPZADCLLGQTLU-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCCC[NH2+]CCC1(C)CCCC1 ZINC000308653212 573647865 /nfs/dbraw/zinc/64/78/65/573647865.db2.gz LSHVTIDRTBZGDF-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=C[C@@H](C)[NH2+][C@@H](C)CCC1CCCC1 ZINC000308653942 573646786 /nfs/dbraw/zinc/64/67/86/573646786.db2.gz MSWGMHAKLAMLSW-NEPJUHHUSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@H](C)CCC1CCCC1 ZINC000308653943 573644013 /nfs/dbraw/zinc/64/40/13/573644013.db2.gz MSWGMHAKLAMLSW-NWDGAFQWSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@@H](C)CCC1CCCC1 ZINC000308653944 573644367 /nfs/dbraw/zinc/64/43/67/573644367.db2.gz MSWGMHAKLAMLSW-RYUDHWBXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@@H](C)[NH2+]C(C)(C)C1CC1 ZINC000308658662 573623933 /nfs/dbraw/zinc/62/39/33/573623933.db2.gz PBKZWUDVMSRQLM-LLVKDONJSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+]C(C)(C)C1CC1 ZINC000308658668 573625008 /nfs/dbraw/zinc/62/50/08/573625008.db2.gz PBKZWUDVMSRQLM-NSHDSACASA-N 1 0 195.350 3.509 10 30 AHEERO C=C(C)C[NH2+][C@@H](C)CCC1CCCC1 ZINC000308659123 573622716 /nfs/dbraw/zinc/62/27/16/573622716.db2.gz PHQOVFLHGBQNEA-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(C)(C)C ZINC000308662569 573670749 /nfs/dbraw/zinc/67/07/49/573670749.db2.gz QVNUCAFWYOQVQX-SRVKXCTJSA-N 1 0 197.366 3.611 10 30 AHEERO C=CC[NH2+][C@H](C)CCC1CCCCC1 ZINC000308663594 573661820 /nfs/dbraw/zinc/66/18/20/573661820.db2.gz RFUSOWDSPLOYTO-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CC[NH2+][C@@H](C)CCC1CCCCC1 ZINC000308663595 573663723 /nfs/dbraw/zinc/66/37/23/573663723.db2.gz RFUSOWDSPLOYTO-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+]C1(C)CCCCCC1 ZINC000308669144 573686712 /nfs/dbraw/zinc/68/67/12/573686712.db2.gz UQVLBIJYTMEGHP-UHFFFAOYSA-N 1 0 195.350 3.655 10 30 AHEERO C=CCCC[NH2+]C(C)(C)C1CCCC1 ZINC000308686280 573703590 /nfs/dbraw/zinc/70/35/90/573703590.db2.gz ZNZIQTCAFSGBHP-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308694404 573736128 /nfs/dbraw/zinc/73/61/28/573736128.db2.gz CMYQXNFVHDJPBZ-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308694405 573736980 /nfs/dbraw/zinc/73/69/80/573736980.db2.gz CMYQXNFVHDJPBZ-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308694406 573738330 /nfs/dbraw/zinc/73/83/30/573738330.db2.gz CMYQXNFVHDJPBZ-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308694407 573737932 /nfs/dbraw/zinc/73/79/32/573737932.db2.gz CMYQXNFVHDJPBZ-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308695715 573737979 /nfs/dbraw/zinc/73/79/79/573737979.db2.gz FDHXLVCMLFTPKD-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308695716 573738047 /nfs/dbraw/zinc/73/80/47/573738047.db2.gz FDHXLVCMLFTPKD-OLZOCXBDSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000308695717 573735203 /nfs/dbraw/zinc/73/52/03/573735203.db2.gz FDHXLVCMLFTPKD-QWHCGFSZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)C[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308695718 573739130 /nfs/dbraw/zinc/73/91/30/573739130.db2.gz FDHXLVCMLFTPKD-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]C1(C)CCCC1 ZINC000308699427 573743661 /nfs/dbraw/zinc/74/36/61/573743661.db2.gz WBMSPVKDGXYFAQ-GFCCVEGCSA-N 1 0 195.350 3.654 10 30 AHEERO C=CCC[C@H](CC)[NH2+]C1(C)CCCC1 ZINC000308699429 573741016 /nfs/dbraw/zinc/74/10/16/573741016.db2.gz WBMSPVKDGXYFAQ-LBPRGKRZSA-N 1 0 195.350 3.654 10 30 AHEERO CCCCCC/C=C1\CC[NH2+]C[C@H]1C ZINC000308711163 573770955 /nfs/dbraw/zinc/77/09/55/573770955.db2.gz YVQBUBOFMSQTAH-FMNNIJNLSA-N 1 0 195.350 3.513 10 30 AHEERO CCCCCC/C=C1/CC[NH2+]C[C@@H]1C ZINC000308711164 573768938 /nfs/dbraw/zinc/76/89/38/573768938.db2.gz YVQBUBOFMSQTAH-OEMOTLHWSA-N 1 0 195.350 3.513 10 30 AHEERO CCCCCC/C=C1\CC[NH2+]C[C@@H]1C ZINC000308711165 573770896 /nfs/dbraw/zinc/77/08/96/573770896.db2.gz YVQBUBOFMSQTAH-OXBCTQFSSA-N 1 0 195.350 3.513 10 30 AHEERO CCCCCC/C=C1/CC[NH2+]C[C@H]1C ZINC000308711166 573767980 /nfs/dbraw/zinc/76/79/80/573767980.db2.gz YVQBUBOFMSQTAH-YFBAIUBQSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308713948 573770989 /nfs/dbraw/zinc/77/09/89/573770989.db2.gz SQQTVVNULYWKMF-CHWSQXEVSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308713952 573767193 /nfs/dbraw/zinc/76/71/93/573767193.db2.gz SQQTVVNULYWKMF-STQMWFEESA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+]CCC(C)C ZINC000308719153 573775905 /nfs/dbraw/zinc/77/59/05/573775905.db2.gz CMGWZQCEIUPNNX-CYBMUJFWSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]CCC(C)C ZINC000308719154 573775257 /nfs/dbraw/zinc/77/52/57/573775257.db2.gz CMGWZQCEIUPNNX-ZDUSSCGKSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]CC1(C)CCC1 ZINC000308724782 573787617 /nfs/dbraw/zinc/78/76/17/573787617.db2.gz GBEPFOHBXYVTGN-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](CC)[NH2+]CC1(C)CCC1 ZINC000308724783 573792748 /nfs/dbraw/zinc/79/27/48/573792748.db2.gz GBEPFOHBXYVTGN-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[C@@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308725290 573792514 /nfs/dbraw/zinc/79/25/14/573792514.db2.gz GEZCECHMHSRJFM-LLVKDONJSA-N 1 0 197.366 3.742 10 30 AHEERO C=C(C)CC[C@H]([NH3+])C(C)(C)C(C)(C)C ZINC000308725291 573796773 /nfs/dbraw/zinc/79/67/73/573796773.db2.gz GEZCECHMHSRJFM-NSHDSACASA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000308727153 573796907 /nfs/dbraw/zinc/79/69/07/573796907.db2.gz HCNHCZDYGFCLED-AGIUHOORSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H](CC)C1 ZINC000308727154 573793999 /nfs/dbraw/zinc/79/39/99/573793999.db2.gz HCNHCZDYGFCLED-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000308727155 573795705 /nfs/dbraw/zinc/79/57/05/573795705.db2.gz HCNHCZDYGFCLED-FRRDWIJNSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000308727156 573796067 /nfs/dbraw/zinc/79/60/67/573796067.db2.gz HCNHCZDYGFCLED-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@@H]([NH2+]CCC)C(C)(C)C(C)(C)C ZINC000308736338 573779486 /nfs/dbraw/zinc/77/94/86/573779486.db2.gz LNPNDRSZOGBUQF-LLVKDONJSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H]([NH2+]CCC)C(C)(C)C(C)(C)C ZINC000308736339 573778391 /nfs/dbraw/zinc/77/83/91/573778391.db2.gz LNPNDRSZOGBUQF-NSHDSACASA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000308736794 573781236 /nfs/dbraw/zinc/78/12/36/573781236.db2.gz LSLQTILKRTYNBV-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000308736797 573781888 /nfs/dbraw/zinc/78/18/88/573781888.db2.gz LSLQTILKRTYNBV-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@H]1CCC[C@H]1CCCC ZINC000308736801 573796949 /nfs/dbraw/zinc/79/69/49/573796949.db2.gz LSLQTILKRTYNBV-XQQFMLRXSA-N 1 0 195.350 3.509 10 30 AHEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000308736803 573786420 /nfs/dbraw/zinc/78/64/20/573786420.db2.gz LSLQTILKRTYNBV-YNEHKIRRSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]CCC(C)(C)C ZINC000308738222 573784850 /nfs/dbraw/zinc/78/48/50/573784850.db2.gz MUYUSZLWMFZFMJ-GFCCVEGCSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CC)[NH2+]CCC(C)(C)C ZINC000308738223 573781982 /nfs/dbraw/zinc/78/19/82/573781982.db2.gz MUYUSZLWMFZFMJ-LBPRGKRZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H]1CCC ZINC000308741321 573785219 /nfs/dbraw/zinc/78/52/19/573785219.db2.gz OXTWCXGQGWJRAW-AGIUHOORSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H]1CCC ZINC000308741322 573771650 /nfs/dbraw/zinc/77/16/50/573771650.db2.gz OXTWCXGQGWJRAW-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1CCC ZINC000308741323 491118584 /nfs/dbraw/zinc/11/85/84/491118584.db2.gz OXTWCXGQGWJRAW-FRRDWIJNSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H]1CCC ZINC000308741324 573785580 /nfs/dbraw/zinc/78/55/80/573785580.db2.gz OXTWCXGQGWJRAW-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]CC1CCC1 ZINC000308751090 573826507 /nfs/dbraw/zinc/82/65/07/573826507.db2.gz UPKSHJAJZYXASY-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](CC)[NH2+][C@H](CC)C(C)C ZINC000308752641 573827362 /nfs/dbraw/zinc/82/73/62/573827362.db2.gz VEDTWJBVEKMQIZ-CHWSQXEVSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@H](CC)C(C)C ZINC000308752956 573825610 /nfs/dbraw/zinc/82/56/10/573825610.db2.gz VEDTWJBVEKMQIZ-QWHCGFSZSA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@H](CC)[NH2+][C@@H](CC)C(C)C ZINC000308752961 573824031 /nfs/dbraw/zinc/82/40/31/573824031.db2.gz VEDTWJBVEKMQIZ-STQMWFEESA-N 1 0 197.366 3.755 10 30 AHEERO C=CCC[C@@H](CCC)[NH2+]CCC1CC1 ZINC000308760172 573842069 /nfs/dbraw/zinc/84/20/69/573842069.db2.gz XOHCMBFIMYKELP-CYBMUJFWSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@H](CCC)[NH2+]CCC1CC1 ZINC000308760176 573840159 /nfs/dbraw/zinc/84/01/59/573840159.db2.gz XOHCMBFIMYKELP-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[C@@H](CC)[NH2+]C(C)(C)CCC ZINC000308760874 573841621 /nfs/dbraw/zinc/84/16/21/573841621.db2.gz XYHARIUVBKTSLA-GFCCVEGCSA-N 1 0 197.366 3.900 10 30 AHEERO C=CCC[NH2+][C@@H](CCC)C1CCCC1 ZINC000313400824 573642691 /nfs/dbraw/zinc/64/26/91/573642691.db2.gz SWTDNFJQMBHWEJ-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(CC)CC1(C[NH2+]CC)CCCC1 ZINC000317376388 572817509 /nfs/dbraw/zinc/81/75/09/572817509.db2.gz JFJLGKCQXIMQNQ-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCC1(C[NH2+]CCC)CCCCC1 ZINC000317398420 572426047 /nfs/dbraw/zinc/42/60/47/572426047.db2.gz RQMQYSJENWMFJJ-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=C(CC)CC1(C[NH2+]CCC)CCC1 ZINC000317439168 572934502 /nfs/dbraw/zinc/93/45/02/572934502.db2.gz LOIZOXCCRIXLKW-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCC[C@](C)(CC)C[NH2+]C1CC1 ZINC000317611995 573447462 /nfs/dbraw/zinc/44/74/62/573447462.db2.gz PEMHQQKMBGLBEA-ZDUSSCGKSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCCC1(C[NH2+]C)CCC1 ZINC000317662276 573944059 /nfs/dbraw/zinc/94/40/59/573944059.db2.gz FDOQEVHINXTHQM-UHFFFAOYSA-N 1 0 195.350 3.513 10 30 AHEERO C=CCCCCC[NH2+]C1(C(C)C)CC1 ZINC000378854984 409806674 /nfs/dbraw/zinc/80/66/74/409806674.db2.gz JJRCELZUEUKEGZ-UHFFFAOYSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000379640049 697907381 /nfs/dbraw/zinc/90/73/81/697907381.db2.gz UJEAISULNFLKIA-AGIUHOORSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000379640053 697907265 /nfs/dbraw/zinc/90/72/65/697907265.db2.gz UJEAISULNFLKIA-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000379640057 697907313 /nfs/dbraw/zinc/90/73/13/697907313.db2.gz UJEAISULNFLKIA-FRRDWIJNSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCCCC[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000379640059 697907201 /nfs/dbraw/zinc/90/72/01/697907201.db2.gz UJEAISULNFLKIA-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO CC/C=C\C[NH2+]CCCCCCC ZINC000385104143 573560873 /nfs/dbraw/zinc/56/08/73/573560873.db2.gz BMJKOKPSFFLTQC-TWGQIWQCSA-N 1 0 183.339 3.513 10 30 AHEERO C=C(C)CC[C@@H]([NH3+])C(C(C)C)C(C)C ZINC000388668034 572190667 /nfs/dbraw/zinc/19/06/67/572190667.db2.gz FOZZARDFPAFLFR-GFCCVEGCSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCC ZINC000389234075 538439692 /nfs/dbraw/zinc/43/96/92/538439692.db2.gz VJHXUDOXAYECSB-AVGNSLFASA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000389234076 538439939 /nfs/dbraw/zinc/43/99/39/538439939.db2.gz VJHXUDOXAYECSB-RWMBFGLXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCC ZINC000389234078 538439595 /nfs/dbraw/zinc/43/95/95/538439595.db2.gz VJHXUDOXAYECSB-XQQFMLRXSA-N 1 0 195.350 3.509 10 30 AHEERO C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCC ZINC000389234079 538439871 /nfs/dbraw/zinc/43/98/71/538439871.db2.gz VJHXUDOXAYECSB-YNEHKIRRSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000393441489 409982745 /nfs/dbraw/zinc/98/27/45/409982745.db2.gz NWSWKVVZFYVBHS-GFCCVEGCSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCCC[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000393441492 409982773 /nfs/dbraw/zinc/98/27/73/409982773.db2.gz NWSWKVVZFYVBHS-LBPRGKRZSA-N 1 0 195.350 3.509 10 30 AHEERO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1CCC ZINC000393520708 573443725 /nfs/dbraw/zinc/44/37/25/573443725.db2.gz OXTWCXGQGWJRAW-JHJVBQTASA-N 1 0 195.350 3.509 10 30 AHEERO CCCCCCC[C@@H]([NH3+])C1(CC)CC1 ZINC000393668177 573702000 /nfs/dbraw/zinc/70/20/00/573702000.db2.gz GLXGIWZDCFNWLC-GFCCVEGCSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@@H]([NH3+])CC1(C)CC1 ZINC000401242853 571895829 /nfs/dbraw/zinc/89/58/29/571895829.db2.gz JGLRGTGWSIXUAX-GFCCVEGCSA-N 1 0 197.366 3.864 10 30 AHEERO CCCCCCC[C@H]([NH3+])CC1(C)CC1 ZINC000401242854 571896141 /nfs/dbraw/zinc/89/61/41/571896141.db2.gz JGLRGTGWSIXUAX-LBPRGKRZSA-N 1 0 197.366 3.864 10 30 AHEERO C=C(C)C[C@H](CC1(C)CC1)[NH2+]CCC ZINC000401315262 571921656 /nfs/dbraw/zinc/92/16/56/571921656.db2.gz ZSHIJLXONBPSJA-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[C@@H](CC1(C)CC1)[NH2+]CCC ZINC000401315263 571923007 /nfs/dbraw/zinc/92/30/07/571923007.db2.gz ZSHIJLXONBPSJA-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)CC[C@@H](CC1(C)CC1)[NH2+]CC ZINC000401380603 571931536 /nfs/dbraw/zinc/93/15/36/571931536.db2.gz ZGMPZEFLQRGAOF-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=CCC[P@H+](C=C)C(C)(C)C ZINC000584610437 346727089 /nfs/dbraw/zinc/72/70/89/346727089.db2.gz KIDOTPZVOMXSSX-UHFFFAOYSA-N 1 0 170.236 3.986 10 30 AHEERO C=C(C)CC[P@@H+](C)C(C)(C)C ZINC000584610870 346727572 /nfs/dbraw/zinc/72/75/72/346727572.db2.gz SEYYWWSSGKOECE-UHFFFAOYSA-N 1 0 172.252 3.863 10 30 AHEERO C=C(C)C[NH2+][C@H](C)CC1CCCCC1 ZINC000689779102 572918216 /nfs/dbraw/zinc/91/82/16/572918216.db2.gz UGYGLBOABYCNMB-GFCCVEGCSA-N 1 0 195.350 3.511 10 30 AHEERO C=C(C)C[NH2+][C@@H](C)CC1CCCCC1 ZINC000689779104 572918449 /nfs/dbraw/zinc/91/84/49/572918449.db2.gz UGYGLBOABYCNMB-LBPRGKRZSA-N 1 0 195.350 3.511 10 30 AHEERO C=C[C@@H](C[C@@H](CC)C(C)(C)C)[NH2+]CC ZINC000711060162 571876646 /nfs/dbraw/zinc/87/66/46/571876646.db2.gz AAXPKTTZPSNTEP-NEPJUHHUSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C[C@H](CC)C(C)(C)C)[NH2+]CC ZINC000711060174 571876597 /nfs/dbraw/zinc/87/65/97/571876597.db2.gz AAXPKTTZPSNTEP-NWDGAFQWSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@@H](C[C@H](CC)C(C)(C)C)[NH2+]CC ZINC000711060177 571876885 /nfs/dbraw/zinc/87/68/85/571876885.db2.gz AAXPKTTZPSNTEP-RYUDHWBXSA-N 1 0 197.366 3.613 10 30 AHEERO C=C[C@H](C[C@@H](CC)C(C)(C)C)[NH2+]CC ZINC000711060182 571877697 /nfs/dbraw/zinc/87/76/97/571877697.db2.gz AAXPKTTZPSNTEP-VXGBXAGGSA-N 1 0 197.366 3.613 10 30 AHEERO C=CCC[C@H]([NH3+])C[C@H](CC)C(C)(C)C ZINC000711093580 571895465 /nfs/dbraw/zinc/89/54/65/571895465.db2.gz KTBUYVPCRJCTMO-RYUDHWBXSA-N 1 0 197.366 3.742 10 30 AHEERO C=CCC[C@@H]([NH3+])C[C@@H](CC)C(C)(C)C ZINC000711093582 571895076 /nfs/dbraw/zinc/89/50/76/571895076.db2.gz KTBUYVPCRJCTMO-VXGBXAGGSA-N 1 0 197.366 3.742 10 30 AHEERO C=C[C@@](C)(C[NH2+]CC)CC(C)(C)CC ZINC000713220857 572150689 /nfs/dbraw/zinc/15/06/89/572150689.db2.gz IUJWDORHULCMTR-CYBMUJFWSA-N 1 0 197.366 3.615 10 30 AHEERO C=C[C@](C)(C[NH2+]CC)CC(C)(C)CC ZINC000713220860 572150870 /nfs/dbraw/zinc/15/08/70/572150870.db2.gz IUJWDORHULCMTR-ZDUSSCGKSA-N 1 0 197.366 3.615 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH3+])[C@H](C)CC(C)(C)C ZINC000715718694 573239754 /nfs/dbraw/zinc/23/97/54/573239754.db2.gz IGDHJJMDHGOYKY-QJPTWQEYSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH3+])[C@@H](C)CC(C)(C)C ZINC000715718698 573238363 /nfs/dbraw/zinc/23/83/63/573238363.db2.gz IGDHJJMDHGOYKY-SDDRHHMPSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@H](C)[C@H]([NH3+])[C@@H](C)CC(C)(C)C ZINC000715718706 573235623 /nfs/dbraw/zinc/23/56/23/573235623.db2.gz IGDHJJMDHGOYKY-SRVKXCTJSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@H](C)[C@H]([NH3+])[C@H](C)CC(C)(C)C ZINC000715718709 573238296 /nfs/dbraw/zinc/23/82/96/573238296.db2.gz IGDHJJMDHGOYKY-TUAOUCFPSA-N 1 0 197.366 3.598 10 30 AHEERO C=CC[C@@H](C)/C(C)=C/CC[NH2+]C(C)C ZINC000715772540 573326223 /nfs/dbraw/zinc/32/62/23/573326223.db2.gz VVZIWJQGOIKPLN-AUWXEVLLSA-N 1 0 195.350 3.533 10 30 AHEERO C=CC[C@@H](C)/C(C)=C\CC[NH2+]C(C)C ZINC000715772542 573324332 /nfs/dbraw/zinc/32/43/32/573324332.db2.gz VVZIWJQGOIKPLN-FNWMBBJUSA-N 1 0 195.350 3.533 10 30 AHEERO C=CC[C@H](C)/C(C)=C/CC[NH2+]C(C)C ZINC000715772544 573324322 /nfs/dbraw/zinc/32/43/22/573324322.db2.gz VVZIWJQGOIKPLN-OQZOHAQUSA-N 1 0 195.350 3.533 10 30 AHEERO C=CC[C@H](C)/C(C)=C\CC[NH2+]C(C)C ZINC000715772550 573324471 /nfs/dbraw/zinc/32/44/71/573324471.db2.gz VVZIWJQGOIKPLN-VWLVURMCSA-N 1 0 195.350 3.533 10 30 AHEERO C=CC[C@H](C)[C@](C)(CC)C[NH2+]CCC ZINC000715815149 573468058 /nfs/dbraw/zinc/46/80/58/573468058.db2.gz QHXKTKJBRBXGQL-QWHCGFSZSA-N 1 0 197.366 3.615 10 30 AHEERO C=CC[C@H](C)[C@@](C)(CC)C[NH2+]CCC ZINC000715815152 573468728 /nfs/dbraw/zinc/46/87/28/573468728.db2.gz QHXKTKJBRBXGQL-STQMWFEESA-N 1 0 197.366 3.615 10 30 AHEERO C=CC[C@H](C)[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000715815322 573471892 /nfs/dbraw/zinc/47/18/92/573471892.db2.gz MOUHGCTZZNFWDZ-AVGNSLFASA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000715815323 573469098 /nfs/dbraw/zinc/46/90/98/573469098.db2.gz MOUHGCTZZNFWDZ-RWMBFGLXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H](C)C[C@H](C)[NH2+]CCC ZINC000715815325 573469441 /nfs/dbraw/zinc/46/94/41/573469441.db2.gz MOUHGCTZZNFWDZ-XQQFMLRXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H](C)C[C@@H](C)[NH2+]CCC ZINC000715815326 573471749 /nfs/dbraw/zinc/47/17/49/573471749.db2.gz MOUHGCTZZNFWDZ-YNEHKIRRSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H]([NH2+]C)[C@@H](C)CCCC ZINC000715826924 573472966 /nfs/dbraw/zinc/47/29/66/573472966.db2.gz FFRXEFBXQKDKBV-AVGNSLFASA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH2+]C)[C@@H](C)CCCC ZINC000715826926 573473885 /nfs/dbraw/zinc/47/38/85/573473885.db2.gz FFRXEFBXQKDKBV-RWMBFGLXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H]([NH2+]C)[C@H](C)CCCC ZINC000715826929 573478453 /nfs/dbraw/zinc/47/84/53/573478453.db2.gz FFRXEFBXQKDKBV-XQQFMLRXSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH2+]C)[C@H](C)CCCC ZINC000715826932 573474249 /nfs/dbraw/zinc/47/42/49/573474249.db2.gz FFRXEFBXQKDKBV-YNEHKIRRSA-N 1 0 197.366 3.613 10 30 AHEERO C=CC[C@H](C)[C@H]([NH3+])[C@@H](CC)CCCC ZINC000715830178 573480446 /nfs/dbraw/zinc/48/04/46/573480446.db2.gz MXKUTXQPYPZXTJ-AVGNSLFASA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH3+])[C@@H](CC)CCCC ZINC000715830181 573479651 /nfs/dbraw/zinc/47/96/51/573479651.db2.gz MXKUTXQPYPZXTJ-RWMBFGLXSA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@H](C)[C@H]([NH3+])[C@H](CC)CCCC ZINC000715830184 573479709 /nfs/dbraw/zinc/47/97/09/573479709.db2.gz MXKUTXQPYPZXTJ-XQQFMLRXSA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@H](C)[C@@H]([NH3+])[C@H](CC)CCCC ZINC000715830186 573479423 /nfs/dbraw/zinc/47/94/23/573479423.db2.gz MXKUTXQPYPZXTJ-YNEHKIRRSA-N 1 0 197.366 3.742 10 30 AHEERO C=CC[C@@H](C)[C@@H](CCCCCC)[NH2+]C ZINC000715830231 573479058 /nfs/dbraw/zinc/47/90/58/573479058.db2.gz NMNDTNLWILIUMB-CHWSQXEVSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@@H](C)[C@H](CCCCCC)[NH2+]C ZINC000715830238 573479099 /nfs/dbraw/zinc/47/90/99/573479099.db2.gz NMNDTNLWILIUMB-OLZOCXBDSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H](C)[C@@H](CCCCCC)[NH2+]C ZINC000715830240 573479491 /nfs/dbraw/zinc/47/94/91/573479491.db2.gz NMNDTNLWILIUMB-QWHCGFSZSA-N 1 0 197.366 3.757 10 30 AHEERO C=CC[C@H](C)[C@H](CCCCCC)[NH2+]C ZINC000715830247 573479670 /nfs/dbraw/zinc/47/96/70/573479670.db2.gz NMNDTNLWILIUMB-STQMWFEESA-N 1 0 197.366 3.757 10 30 AHEERO