smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 250001950 534950589 /nfs/dbraw/zinc/95/05/89/534950589.db2.gz OWLMGWMDIFEVRF-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)C[N@@H+](CCC[NH3+])C(C)C 34960382 537795588 /nfs/dbraw/zinc/79/55/88/537795588.db2.gz SAURKFIYNXJVHW-UHFFFAOYSA-N 2 1 172.316 1.702 20 0 ADADMP C[N@@H+](CCC[NH3+])C1CCCCCC1 34960514 537796381 /nfs/dbraw/zinc/79/63/81/537796381.db2.gz KUXFKGHCZXBESR-UHFFFAOYSA-N 2 1 184.327 1.990 20 0 ADADMP CC(C)C[NH2+]C1CC[NH+](C2CC2)CC1 35054378 537798446 /nfs/dbraw/zinc/79/84/46/537798446.db2.gz LPWGSWSCXHTIAB-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478571 537813514 /nfs/dbraw/zinc/81/35/14/537813514.db2.gz IERZBJKDYUBGQU-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478571 537813518 /nfs/dbraw/zinc/81/35/18/537813518.db2.gz IERZBJKDYUBGQU-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]C(C)C 37477293 537814936 /nfs/dbraw/zinc/81/49/36/537814936.db2.gz NYAIHHYAZSSBDR-JTQLQIEISA-N 2 1 172.316 1.715 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C(C)C 37477293 537814942 /nfs/dbraw/zinc/81/49/42/537814942.db2.gz NYAIHHYAZSSBDR-JTQLQIEISA-N 2 1 172.316 1.715 20 0 ADADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC1CC1 37478570 537815069 /nfs/dbraw/zinc/81/50/69/537815069.db2.gz IERZBJKDYUBGQU-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC1CC1 37478570 537815074 /nfs/dbraw/zinc/81/50/74/537815074.db2.gz IERZBJKDYUBGQU-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[NH2+]CCC[N@@H+](C)C(C)C 37480270 537815123 /nfs/dbraw/zinc/81/51/23/537815123.db2.gz IWXPIFPNCGYQOI-UHFFFAOYSA-N 2 1 172.316 1.715 20 0 ADADMP C1CC1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37485287 537815207 /nfs/dbraw/zinc/81/52/07/537815207.db2.gz YGFBSVPIGDDRDO-NSHDSACASA-N 2 1 194.322 1.470 20 0 ADADMP C1CC1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485288 537816206 /nfs/dbraw/zinc/81/62/06/537816206.db2.gz YGFBSVPIGDDRDO-LLVKDONJSA-N 2 1 194.322 1.470 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]CC1CC1 37478559 537816247 /nfs/dbraw/zinc/81/62/47/537816247.db2.gz CBURLVDZQLNTPP-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]CC1CC1 37478559 537816252 /nfs/dbraw/zinc/81/62/52/537816252.db2.gz CBURLVDZQLNTPP-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CC(C)[NH2+]CC[N@H+](C)C1CCCC1 37477285 537816557 /nfs/dbraw/zinc/81/65/57/537816557.db2.gz LMPRHEQLXVWPSS-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC(C)[NH2+]CC[N@@H+](C)C1CCCC1 37477285 537816562 /nfs/dbraw/zinc/81/65/62/537816562.db2.gz LMPRHEQLXVWPSS-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP C[N@H+](CC[NH3+])CCCc1ccccc1 37267962 537817255 /nfs/dbraw/zinc/81/72/55/537817255.db2.gz MVJJQXOQJKAJDN-UHFFFAOYSA-N 2 1 192.306 1.510 20 0 ADADMP C[N@@H+](CC[NH3+])CCCc1ccccc1 37267962 537817260 /nfs/dbraw/zinc/81/72/60/537817260.db2.gz MVJJQXOQJKAJDN-UHFFFAOYSA-N 2 1 192.306 1.510 20 0 ADADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C(C)C 37477292 537818000 /nfs/dbraw/zinc/81/80/00/537818000.db2.gz NYAIHHYAZSSBDR-SNVBAGLBSA-N 2 1 172.316 1.715 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C(C)C 37477292 537818005 /nfs/dbraw/zinc/81/80/05/537818005.db2.gz NYAIHHYAZSSBDR-SNVBAGLBSA-N 2 1 172.316 1.715 20 0 ADADMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37485317 537818402 /nfs/dbraw/zinc/81/84/02/537818402.db2.gz YMWLTFQXEVGALF-JTQLQIEISA-N 2 1 182.311 1.469 20 0 ADADMP C[N@H+](CC[NH2+]CC1CC1)C1CCCC1 37478557 537818737 /nfs/dbraw/zinc/81/87/37/537818737.db2.gz DMZZCKHFZZPKTA-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](CC[NH2+]CC1CC1)C1CCCC1 37478557 537818746 /nfs/dbraw/zinc/81/87/46/537818746.db2.gz DMZZCKHFZZPKTA-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485342 537819693 /nfs/dbraw/zinc/81/96/93/537819693.db2.gz JQLKWBNLJXTQKL-WDEREUQCSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485318 537819719 /nfs/dbraw/zinc/81/97/19/537819719.db2.gz YMWLTFQXEVGALF-SNVBAGLBSA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37485341 537820655 /nfs/dbraw/zinc/82/06/55/537820655.db2.gz JQLKWBNLJXTQKL-GHMZBOCLSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H]1CCC[N@H+]1CCC[NH3+] 37913198 537823505 /nfs/dbraw/zinc/82/35/05/537823505.db2.gz PKGUSIZDHONLRK-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37485339 537821189 /nfs/dbraw/zinc/82/11/89/537821189.db2.gz JQLKWBNLJXTQKL-MNOVXSKESA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37485340 537821513 /nfs/dbraw/zinc/82/15/13/537821513.db2.gz JQLKWBNLJXTQKL-QWRGUYRKSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CCC[NH3+] 37913197 537824515 /nfs/dbraw/zinc/82/45/15/537824515.db2.gz PKGUSIZDHONLRK-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP CC(C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 40621596 537836403 /nfs/dbraw/zinc/83/64/03/537836403.db2.gz MMMCRRIPPZQNHW-NSHDSACASA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 40621071 537836735 /nfs/dbraw/zinc/83/67/35/537836735.db2.gz LKCZSRVFEUJLIY-GFCCVEGCSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 40621599 537836879 /nfs/dbraw/zinc/83/68/79/537836879.db2.gz MMMCRRIPPZQNHW-LLVKDONJSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 40621069 537837622 /nfs/dbraw/zinc/83/76/22/537837622.db2.gz LKCZSRVFEUJLIY-LBPRGKRZSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 42372057 537841739 /nfs/dbraw/zinc/84/17/39/537841739.db2.gz JFOUXUKLTHCGRQ-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 42372057 537841742 /nfs/dbraw/zinc/84/17/42/537841742.db2.gz JFOUXUKLTHCGRQ-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 42372058 537842627 /nfs/dbraw/zinc/84/26/27/537842627.db2.gz JFOUXUKLTHCGRQ-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)[NH2+]CC[N@H+]1CC[C@H](C)C1 42372058 537842636 /nfs/dbraw/zinc/84/26/36/537842636.db2.gz JFOUXUKLTHCGRQ-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44535635 537852014 /nfs/dbraw/zinc/85/20/14/537852014.db2.gz YYVCKWBAQVOYNI-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44535637 537849885 /nfs/dbraw/zinc/84/98/85/537849885.db2.gz YYVCKWBAQVOYNI-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCCC2)C1 44535160 537850097 /nfs/dbraw/zinc/85/00/97/537850097.db2.gz OURXONREIZIULE-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 44534976 537850830 /nfs/dbraw/zinc/85/08/30/537850830.db2.gz SVOGAAZKLYFWNM-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44534973 537851033 /nfs/dbraw/zinc/85/10/33/537851033.db2.gz SVOGAAZKLYFWNM-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 44534974 537851154 /nfs/dbraw/zinc/85/11/54/537851154.db2.gz SVOGAAZKLYFWNM-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44533772 537851249 /nfs/dbraw/zinc/85/12/49/537851249.db2.gz MDGPATGWHYLPPH-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 44535639 537851492 /nfs/dbraw/zinc/85/14/92/537851492.db2.gz YYVCKWBAQVOYNI-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2CC2)C1 44533550 537852060 /nfs/dbraw/zinc/85/20/60/537852060.db2.gz IDHXAYSACDDFBM-NSHDSACASA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44535247 537852530 /nfs/dbraw/zinc/85/25/30/537852530.db2.gz IDMBWVOKVMPOBJ-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44533770 537853010 /nfs/dbraw/zinc/85/30/10/537853010.db2.gz MDGPATGWHYLPPH-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 44535249 537853479 /nfs/dbraw/zinc/85/34/79/537853479.db2.gz IDMBWVOKVMPOBJ-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 44535641 537853675 /nfs/dbraw/zinc/85/36/75/537853675.db2.gz YYVCKWBAQVOYNI-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]CC2CC2)C1 44533548 537854291 /nfs/dbraw/zinc/85/42/91/537854291.db2.gz IDHXAYSACDDFBM-LLVKDONJSA-N 2 1 182.311 1.328 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCCC2)C1 44535162 537854422 /nfs/dbraw/zinc/85/44/22/537854422.db2.gz OURXONREIZIULE-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44534971 537854456 /nfs/dbraw/zinc/85/44/56/537854456.db2.gz SVOGAAZKLYFWNM-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 44533776 537854899 /nfs/dbraw/zinc/85/48/99/537854899.db2.gz MDGPATGWHYLPPH-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@H]1CCC[N@@H+](C)C1 44533774 537854928 /nfs/dbraw/zinc/85/49/28/537854928.db2.gz MDGPATGWHYLPPH-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CCC(CC)[NH2+]CCn1cc[nH+]c1C 49329689 537859671 /nfs/dbraw/zinc/85/96/71/537859671.db2.gz WHEFBGHSBXMCNK-UHFFFAOYSA-N 2 1 195.310 1.970 20 0 ADADMP [NH3+]C[C@H]([NH3+])C1CCCCCC1 83825610 537902573 /nfs/dbraw/zinc/90/25/73/537902573.db2.gz BEXNFLNVWMAGLJ-VIFPVBQESA-N 2 1 156.273 1.243 20 0 ADADMP [NH3+]C[C@@H]([NH3+])C1CCCCCC1 83825608 537904260 /nfs/dbraw/zinc/90/42/60/537904260.db2.gz BEXNFLNVWMAGLJ-SECBINFHSA-N 2 1 156.273 1.243 20 0 ADADMP CC(C)n1c[nH+]cc1C1CC[NH2+]CC1 85189309 537912861 /nfs/dbraw/zinc/91/28/61/537912861.db2.gz TWIYRDMCIPSZJV-UHFFFAOYSA-N 2 1 193.294 1.931 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CCC2CC2)CC[N@H+]1C 156127290 538012416 /nfs/dbraw/zinc/01/24/16/538012416.db2.gz SEYDRJKFEGFLPR-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CC[N@H+]1C 156127174 538012452 /nfs/dbraw/zinc/01/24/52/538012452.db2.gz SEYDRJKFEGFLPR-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@H+]1C 156127527 538012503 /nfs/dbraw/zinc/01/25/03/538012503.db2.gz SEYDRJKFEGFLPR-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CC[N@H+]1C 156127409 538014655 /nfs/dbraw/zinc/01/46/55/538014655.db2.gz SEYDRJKFEGFLPR-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@@H+]1C 157329438 538021197 /nfs/dbraw/zinc/02/11/97/538021197.db2.gz DXDSPNHNLHBILE-PWSUYJOCSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@H+]1C 157329438 538021205 /nfs/dbraw/zinc/02/12/05/538021205.db2.gz DXDSPNHNLHBILE-PWSUYJOCSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@@H+]1C 157329301 538021754 /nfs/dbraw/zinc/02/17/54/538021754.db2.gz DXDSPNHNLHBILE-CMPLNLGQSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@H+]1C 157329301 538021759 /nfs/dbraw/zinc/02/17/59/538021759.db2.gz DXDSPNHNLHBILE-CMPLNLGQSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@@H+]1C 157329157 538022921 /nfs/dbraw/zinc/02/29/21/538022921.db2.gz DXDSPNHNLHBILE-ZYHUDNBSSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CC=CC2)CC[N@H+]1C 157329157 538022925 /nfs/dbraw/zinc/02/29/25/538022925.db2.gz DXDSPNHNLHBILE-ZYHUDNBSSA-N 2 1 194.322 1.777 20 0 ADADMP CC[NH+]1CCC([NH2+]C2CC=CC2)CC1 157349683 538023438 /nfs/dbraw/zinc/02/34/38/538023438.db2.gz IMGBCLVYABAGRR-UHFFFAOYSA-N 2 1 194.322 1.779 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@@H+]1C 157329589 538024622 /nfs/dbraw/zinc/02/46/22/538024622.db2.gz DXDSPNHNLHBILE-JQWIXIFHSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CC=CC2)CC[N@H+]1C 157329589 538024625 /nfs/dbraw/zinc/02/46/25/538024625.db2.gz DXDSPNHNLHBILE-JQWIXIFHSA-N 2 1 194.322 1.777 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 162782610 538076769 /nfs/dbraw/zinc/07/67/69/538076769.db2.gz DPVVMVANCQFLCJ-SDDRHHMPSA-N 2 1 198.354 1.962 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 162782359 538078598 /nfs/dbraw/zinc/07/85/98/538078598.db2.gz DPVVMVANCQFLCJ-SRVKXCTJSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 164642084 538146449 /nfs/dbraw/zinc/14/64/49/538146449.db2.gz LJDQWZMIEKBGJN-SDDRHHMPSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 164645164 538146509 /nfs/dbraw/zinc/14/65/09/538146509.db2.gz GJPJKWXGVBRHKL-NEPJUHHUSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 164645293 538147798 /nfs/dbraw/zinc/14/77/98/538147798.db2.gz GJPJKWXGVBRHKL-RYUDHWBXSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C 166643891 538160261 /nfs/dbraw/zinc/16/02/61/538160261.db2.gz VSSKCTCKVGPERR-CMPLNLGQSA-N 2 1 198.354 1.961 20 0 ADADMP CC1CC([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 166631800 538160792 /nfs/dbraw/zinc/16/07/92/538160792.db2.gz QCEIXTQLSIYOPP-MOENNCHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C 166643769 538161452 /nfs/dbraw/zinc/16/14/52/538161452.db2.gz VSSKCTCKVGPERR-ZYHUDNBSSA-N 2 1 198.354 1.961 20 0 ADADMP CC1CC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 166631690 538161663 /nfs/dbraw/zinc/16/16/63/538161663.db2.gz QCEIXTQLSIYOPP-CXQJBGSLSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C 166643655 538162196 /nfs/dbraw/zinc/16/21/96/538162196.db2.gz VSSKCTCKVGPERR-JQWIXIFHSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C 166643540 538163136 /nfs/dbraw/zinc/16/31/36/538163136.db2.gz VSSKCTCKVGPERR-PWSUYJOCSA-N 2 1 198.354 1.961 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1C[C@H]1C 166942958 538164454 /nfs/dbraw/zinc/16/44/54/538164454.db2.gz STJYVNZDROKJIT-MWLCHTKSSA-N 2 1 193.294 1.437 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C[C@H]1C[C@@H]1C 166942764 538164738 /nfs/dbraw/zinc/16/47/38/538164738.db2.gz STJYVNZDROKJIT-GXSJLCMTSA-N 2 1 193.294 1.437 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1C[C@H]1C 166942865 538165667 /nfs/dbraw/zinc/16/56/67/538165667.db2.gz STJYVNZDROKJIT-KOLCDFICSA-N 2 1 193.294 1.437 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 166775658 538166022 /nfs/dbraw/zinc/16/60/22/538166022.db2.gz TWSPSOXAINJSOT-WOPDTQHZSA-N 2 1 196.338 1.574 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H]1C[C@@H]1C 166942697 538166064 /nfs/dbraw/zinc/16/60/64/538166064.db2.gz STJYVNZDROKJIT-ONGXEEELSA-N 2 1 193.294 1.437 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 166775450 538166376 /nfs/dbraw/zinc/16/63/76/538166376.db2.gz TWSPSOXAINJSOT-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)[N@@H+](C)CCC[NH+]1CCCC1 201326619 538184882 /nfs/dbraw/zinc/18/48/82/538184882.db2.gz YFBSCTUZVRCDQI-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP Cc1cc(C)cc([C@H]2C[NH2+]C[C@H]2[NH3+])c1 211462900 538186753 /nfs/dbraw/zinc/18/67/53/538186753.db2.gz ALYQJVJBVIRGJD-VXGBXAGGSA-N 2 1 190.290 1.318 20 0 ADADMP Cc1cc([C@@H]2C[NH2+]C[C@H]2[NH3+])ccc1F 211486061 538186839 /nfs/dbraw/zinc/18/68/39/538186839.db2.gz RVXMRRBAEICXRC-GXSJLCMTSA-N 2 1 194.253 1.148 20 0 ADADMP Cc1nc(NC[C@@H](C)[NH3+])c(C)c(C)[nH+]1 211510434 538187783 /nfs/dbraw/zinc/18/77/83/538187783.db2.gz TZKYDIPYEHFYJP-ZCFIWIBFSA-N 2 1 194.282 1.161 20 0 ADADMP Cc1cc([C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1F 211485984 538187945 /nfs/dbraw/zinc/18/79/45/538187945.db2.gz RVXMRRBAEICXRC-KOLCDFICSA-N 2 1 194.253 1.148 20 0 ADADMP Cc1cc(C)cc([C@@H]2C[NH2+]C[C@H]2[NH3+])c1 211462831 538188100 /nfs/dbraw/zinc/18/81/00/538188100.db2.gz ALYQJVJBVIRGJD-NWDGAFQWSA-N 2 1 190.290 1.318 20 0 ADADMP Cc1cc([C@H]2C[NH2+]C[C@H]2[NH3+])ccc1F 211486142 538188792 /nfs/dbraw/zinc/18/87/92/538188792.db2.gz RVXMRRBAEICXRC-MWLCHTKSSA-N 2 1 194.253 1.148 20 0 ADADMP Cc1cc(C)cc([C@@H]2C[NH2+]C[C@@H]2[NH3+])c1 211462677 538189106 /nfs/dbraw/zinc/18/91/06/538189106.db2.gz ALYQJVJBVIRGJD-RYUDHWBXSA-N 2 1 190.290 1.318 20 0 ADADMP Cc1cc(C)cc([C@H]2C[NH2+]C[C@@H]2[NH3+])c1 211462754 538189342 /nfs/dbraw/zinc/18/93/42/538189342.db2.gz ALYQJVJBVIRGJD-NEPJUHHUSA-N 2 1 190.290 1.318 20 0 ADADMP Cc1nc(NC[C@H](C)[NH3+])c(C)c(C)[nH+]1 211510499 538189842 /nfs/dbraw/zinc/18/98/42/538189842.db2.gz TZKYDIPYEHFYJP-LURJTMIESA-N 2 1 194.282 1.161 20 0 ADADMP Cc1cc([C@@H]2C[NH2+]C[C@@H]2[NH3+])ccc1F 211485917 538189913 /nfs/dbraw/zinc/18/99/13/538189913.db2.gz RVXMRRBAEICXRC-ONGXEEELSA-N 2 1 194.253 1.148 20 0 ADADMP C[C@@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1 225880669 538198455 /nfs/dbraw/zinc/19/84/55/538198455.db2.gz HTCAHFNSPLFRLK-WDEREUQCSA-N 2 1 176.263 1.091 20 0 ADADMP C[C@]1([NH3+])C[NH2+]C[C@H]1c1ccccc1 225880652 538198487 /nfs/dbraw/zinc/19/84/87/538198487.db2.gz HTCAHFNSPLFRLK-QWRGUYRKSA-N 2 1 176.263 1.091 20 0 ADADMP C[C@@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1 225880637 538199344 /nfs/dbraw/zinc/19/93/44/538199344.db2.gz HTCAHFNSPLFRLK-GHMZBOCLSA-N 2 1 176.263 1.091 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@](C)(C[NH3+])C1 232566593 538226468 /nfs/dbraw/zinc/22/64/68/538226468.db2.gz XWNQBYKZGUPABT-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)CC[N@H+]1CC[C@](C)(C[NH3+])C1 232566791 538227876 /nfs/dbraw/zinc/22/78/76/538227876.db2.gz XWNQBYKZGUPABT-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP CCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 232990443 538231775 /nfs/dbraw/zinc/23/17/75/538231775.db2.gz OALHVQOXZXDNBB-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP CCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 232990784 538232062 /nfs/dbraw/zinc/23/20/62/538232062.db2.gz OALHVQOXZXDNBB-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP CCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 232962285 538232529 /nfs/dbraw/zinc/23/25/29/538232529.db2.gz RKNLTSZOHNDASD-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP CCCC[N@H+]1CC[C@](C)(C[NH3+])C1 232962866 538232835 /nfs/dbraw/zinc/23/28/35/538232835.db2.gz RKNLTSZOHNDASD-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 233977725 538235966 /nfs/dbraw/zinc/23/59/66/538235966.db2.gz BWUMGXRTXQFVBD-QWRGUYRKSA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 233851856 538236237 /nfs/dbraw/zinc/23/62/37/538236237.db2.gz BWUMGXRTXQFVBD-MNOVXSKESA-N 2 1 184.327 1.703 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCF)C1 235391549 538245861 /nfs/dbraw/zinc/24/58/61/538245861.db2.gz VBJYLQDQQBMVKJ-VIFPVBQESA-N 2 1 174.263 1.017 20 0 ADADMP C[N@H+]1CC[C@@H]([NH3+])C[C@H]1c1ccccc1 250594893 538257512 /nfs/dbraw/zinc/25/75/12/538257512.db2.gz IKHIBKMYECYOPT-NEPJUHHUSA-N 2 1 190.290 1.781 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]2C)CC[N@H+]1C 252712277 538271865 /nfs/dbraw/zinc/27/18/65/538271865.db2.gz LZTXOVYKUJRFLF-KXNHARMFSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 252712276 538272634 /nfs/dbraw/zinc/27/26/34/538272634.db2.gz LZTXOVYKUJRFLF-KKOKHZNYSA-N 2 1 196.338 1.715 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C 252796103 538281226 /nfs/dbraw/zinc/28/12/26/538281226.db2.gz DPVVMVANCQFLCJ-GRYCIOLGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 252796104 538281859 /nfs/dbraw/zinc/28/18/59/538281859.db2.gz DPVVMVANCQFLCJ-WOPDTQHZSA-N 2 1 198.354 1.962 20 0 ADADMP CCC[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252970772 538283174 /nfs/dbraw/zinc/28/31/74/538283174.db2.gz ZTAMJIBOSDEAOA-ZJUUUORDSA-N 2 1 170.300 1.469 20 0 ADADMP C[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 252931621 538283319 /nfs/dbraw/zinc/28/33/19/538283319.db2.gz BKGRDDFUDSZVQT-IJLUTSLNSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 252966917 538283497 /nfs/dbraw/zinc/28/34/97/538283497.db2.gz TWSPSOXAINJSOT-IJLUTSLNSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 252966918 538283723 /nfs/dbraw/zinc/28/37/23/538283723.db2.gz TWSPSOXAINJSOT-UTUOFQBUSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1CCC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 252931622 538284326 /nfs/dbraw/zinc/28/43/26/538284326.db2.gz BKGRDDFUDSZVQT-UTUOFQBUSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252970771 538285076 /nfs/dbraw/zinc/28/50/76/538285076.db2.gz ZTAMJIBOSDEAOA-NXEZZACHSA-N 2 1 170.300 1.469 20 0 ADADMP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](C)C2)CC[NH2+]1 252931623 538285329 /nfs/dbraw/zinc/28/53/29/538285329.db2.gz BKGRDDFUDSZVQT-WOPDTQHZSA-N 2 1 196.338 1.859 20 0 ADADMP C[N@H+]1CC[C@H]2[C@H](CCC[C@H]2[NH3+])C1 306204202 538300113 /nfs/dbraw/zinc/30/01/13/538300113.db2.gz ZLNQAUZIIMMMAO-KXUCPTDWSA-N 2 1 168.284 1.066 20 0 ADADMP C[N@H+]1CC[C@@H]2[C@H]([NH3+])CCC[C@H]2C1 306204204 538300182 /nfs/dbraw/zinc/30/01/82/538300182.db2.gz ZLNQAUZIIMMMAO-LPEHRKFASA-N 2 1 168.284 1.066 20 0 ADADMP C[N@H+]1CC[C@@H]2[C@@H]([NH3+])CCC[C@H]2C1 306204201 538300254 /nfs/dbraw/zinc/30/02/54/538300254.db2.gz ZLNQAUZIIMMMAO-GUBZILKMSA-N 2 1 168.284 1.066 20 0 ADADMP Cc1ccsc1[C@H]1C[NH2+]C[C@@H]1[NH3+] 306877005 538310879 /nfs/dbraw/zinc/31/08/79/538310879.db2.gz DGJNKLSQVJQDQV-YUMQZZPRSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccsc1[C@@H]1C[NH2+]C[C@@H]1[NH3+] 306877004 538311004 /nfs/dbraw/zinc/31/10/04/538311004.db2.gz DGJNKLSQVJQDQV-SFYZADRCSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccsc1[C@H]1C[NH2+]C[C@H]1[NH3+] 306877003 538311175 /nfs/dbraw/zinc/31/11/75/538311175.db2.gz DGJNKLSQVJQDQV-JGVFFNPUSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccsc1[C@@H]1C[NH2+]C[C@H]1[NH3+] 306877002 538311642 /nfs/dbraw/zinc/31/16/42/538311642.db2.gz DGJNKLSQVJQDQV-HTQZYQBOSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])s1 307037304 538312589 /nfs/dbraw/zinc/31/25/89/538312589.db2.gz DQVNTNGSIGWWCH-YUMQZZPRSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])s1 307037300 538312610 /nfs/dbraw/zinc/31/26/10/538312610.db2.gz DQVNTNGSIGWWCH-JGVFFNPUSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])s1 307037298 538312731 /nfs/dbraw/zinc/31/27/31/538312731.db2.gz DQVNTNGSIGWWCH-HTQZYQBOSA-N 2 1 182.292 1.071 20 0 ADADMP Cc1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])s1 307037302 538312777 /nfs/dbraw/zinc/31/27/77/538312777.db2.gz DQVNTNGSIGWWCH-SFYZADRCSA-N 2 1 182.292 1.071 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC(C)C 379314708 538341011 /nfs/dbraw/zinc/34/10/11/538341011.db2.gz PDRZALIGMFADBC-NXEZZACHSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC(C)C 379314711 538341465 /nfs/dbraw/zinc/34/14/65/538341465.db2.gz PDRZALIGMFADBC-ZJUUUORDSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC(C)C 379314709 538341982 /nfs/dbraw/zinc/34/19/82/538341982.db2.gz PDRZALIGMFADBC-UWVGGRQHSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC(C)C 379314710 538342658 /nfs/dbraw/zinc/34/26/58/538342658.db2.gz PDRZALIGMFADBC-VHSXEESVSA-N 2 1 172.316 1.619 20 0 ADADMP CC(C)C[NH2+][C@@H](C)C[N@H+](C)C(C)C 379345842 538358455 /nfs/dbraw/zinc/35/84/55/538358455.db2.gz DGKLYTYWIGVAHL-NSHDSACASA-N 2 1 186.343 1.961 20 0 ADADMP CC(C)C[NH2+][C@@H](C)C[N@@H+](C)C(C)C 379345842 538358460 /nfs/dbraw/zinc/35/84/60/538358460.db2.gz DGKLYTYWIGVAHL-NSHDSACASA-N 2 1 186.343 1.961 20 0 ADADMP CC(C)C[NH2+]CC1=CC[N@@H+](C)CC1 379407881 538399752 /nfs/dbraw/zinc/39/97/52/538399752.db2.gz ZUGLORVJAMTPIJ-UHFFFAOYSA-N 2 1 182.311 1.494 20 0 ADADMP C[NH+](C)CCC[N@@H+](C)CC1(C)CC1 379407358 538402194 /nfs/dbraw/zinc/40/21/94/538402194.db2.gz YLQNSKIHROFYTL-UHFFFAOYSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1C[C@@H]1C 379536982 538413511 /nfs/dbraw/zinc/41/35/11/538413511.db2.gz LYZYCIKHTQRVDL-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1C[C@@H]1C 379536982 538413513 /nfs/dbraw/zinc/41/35/13/538413513.db2.gz LYZYCIKHTQRVDL-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cn[nH]c1 379502809 538413516 /nfs/dbraw/zinc/41/35/16/538413516.db2.gz LKOAWPDIYWIYIE-VIFPVBQESA-N 2 1 196.298 1.012 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1C[C@@H]1C 379536979 538413666 /nfs/dbraw/zinc/41/36/66/538413666.db2.gz LYZYCIKHTQRVDL-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1C[C@@H]1C 379536979 538413669 /nfs/dbraw/zinc/41/36/69/538413669.db2.gz LYZYCIKHTQRVDL-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cn[nH]c1 379502806 538413695 /nfs/dbraw/zinc/41/36/95/538413695.db2.gz LKOAWPDIYWIYIE-SECBINFHSA-N 2 1 196.298 1.012 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1C[C@H]1C 379536978 538413848 /nfs/dbraw/zinc/41/38/48/538413848.db2.gz LYZYCIKHTQRVDL-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1C[C@H]1C 379536978 538413849 /nfs/dbraw/zinc/41/38/49/538413849.db2.gz LYZYCIKHTQRVDL-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]C[C@H]1C[C@H]1C 379536988 538413924 /nfs/dbraw/zinc/41/39/24/538413924.db2.gz LYZYCIKHTQRVDL-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]C[C@H]1C[C@H]1C 379536988 538413930 /nfs/dbraw/zinc/41/39/30/538413930.db2.gz LYZYCIKHTQRVDL-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@H]1C 379595436 538419483 /nfs/dbraw/zinc/41/94/83/538419483.db2.gz DMWVMUPNRAXPSW-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 379599069 538419571 /nfs/dbraw/zinc/41/95/71/538419571.db2.gz IQMXVFHCKDQINJ-PWSUYJOCSA-N 2 1 194.322 1.494 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 379599070 538420079 /nfs/dbraw/zinc/42/00/79/538420079.db2.gz IQMXVFHCKDQINJ-ZYHUDNBSSA-N 2 1 194.322 1.494 20 0 ADADMP C[NH+](C)[C@H](C[NH2+]CC1(C)CC1)C1CC1 379592842 538420190 /nfs/dbraw/zinc/42/01/90/538420190.db2.gz ZORHUBBPDROCPV-LLVKDONJSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@H]1C 379595438 538420239 /nfs/dbraw/zinc/42/02/39/538420239.db2.gz DMWVMUPNRAXPSW-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H]1C[C@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 379599068 538420252 /nfs/dbraw/zinc/42/02/52/538420252.db2.gz IQMXVFHCKDQINJ-JQWIXIFHSA-N 2 1 194.322 1.494 20 0 ADADMP C[NH+](C)[C@@H](C[NH2+]CC1(C)CC1)C1CC1 379592843 538420444 /nfs/dbraw/zinc/42/04/44/538420444.db2.gz ZORHUBBPDROCPV-NSHDSACASA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@H]1C 379595437 538420531 /nfs/dbraw/zinc/42/05/31/538420531.db2.gz DMWVMUPNRAXPSW-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H]1C[C@@H]1C[NH2+]CC1=CC[N@@H+](C)CC1 379599067 538420782 /nfs/dbraw/zinc/42/07/82/538420782.db2.gz IQMXVFHCKDQINJ-CMPLNLGQSA-N 2 1 194.322 1.494 20 0 ADADMP CC(C)[N@@H+](C)CCC[NH2+]C[C@H]1C[C@H]1C 379595439 538420942 /nfs/dbraw/zinc/42/09/42/538420942.db2.gz DMWVMUPNRAXPSW-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP C[N@@H+]1CC=C(C[NH2+]CC(C)(C)C)CC1 379614686 538423898 /nfs/dbraw/zinc/42/38/98/538423898.db2.gz XXBJBMIRZWOYCT-UHFFFAOYSA-N 2 1 196.338 1.884 20 0 ADADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C 379654445 538425802 /nfs/dbraw/zinc/42/58/02/538425802.db2.gz JALFFARWJNMTJM-IJLUTSLNSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@H]1C 379654445 538425799 /nfs/dbraw/zinc/42/57/99/538425799.db2.gz JALFFARWJNMTJM-IJLUTSLNSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C 379654454 538426234 /nfs/dbraw/zinc/42/62/34/538426234.db2.gz JALFFARWJNMTJM-UTUOFQBUSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C 379654454 538426236 /nfs/dbraw/zinc/42/62/36/538426236.db2.gz JALFFARWJNMTJM-UTUOFQBUSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C 379654447 538426286 /nfs/dbraw/zinc/42/62/86/538426286.db2.gz JALFFARWJNMTJM-QJPTWQEYSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]1C 379654447 538426285 /nfs/dbraw/zinc/42/62/85/538426285.db2.gz JALFFARWJNMTJM-QJPTWQEYSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C 379654448 538426524 /nfs/dbraw/zinc/42/65/24/538426524.db2.gz JALFFARWJNMTJM-TUAOUCFPSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H]1C 379654448 538426525 /nfs/dbraw/zinc/42/65/25/538426525.db2.gz JALFFARWJNMTJM-TUAOUCFPSA-N 2 1 198.354 1.961 20 0 ADADMP CC[C@@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 379658723 538426857 /nfs/dbraw/zinc/42/68/57/538426857.db2.gz NRZANRYQWQJYTB-LLVKDONJSA-N 2 1 196.338 1.884 20 0 ADADMP CC[C@H](C)C[NH2+]CC1=CC[N@@H+](C)CC1 379658724 538426966 /nfs/dbraw/zinc/42/69/66/538426966.db2.gz NRZANRYQWQJYTB-NSHDSACASA-N 2 1 196.338 1.884 20 0 ADADMP CC1CC([NH2+]CCc2c[nH+]cn2C)C1 379663929 538426974 /nfs/dbraw/zinc/42/69/74/538426974.db2.gz UEPPRWWGAYJNDW-UHFFFAOYSA-N 2 1 193.294 1.351 20 0 ADADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCC[NH2+]C 384128411 538428637 /nfs/dbraw/zinc/42/86/37/538428637.db2.gz QADBATIMCCOGQB-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)CCC[N@@H+](C)C1CC1 388272368 538430984 /nfs/dbraw/zinc/43/09/84/538430984.db2.gz GVRKUEFCPIUGGV-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH+](C)C 388607180 538434308 /nfs/dbraw/zinc/43/43/08/538434308.db2.gz WDKCQXNJKVLUJI-MNOVXSKESA-N 2 1 184.327 1.526 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC[NH+](C)C 388607182 538434467 /nfs/dbraw/zinc/43/44/67/538434467.db2.gz WDKCQXNJKVLUJI-WDEREUQCSA-N 2 1 184.327 1.526 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC[NH+](C)C 388607179 538434675 /nfs/dbraw/zinc/43/46/75/538434675.db2.gz WDKCQXNJKVLUJI-GHMZBOCLSA-N 2 1 184.327 1.526 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC[NH+](C)C 388607181 538434727 /nfs/dbraw/zinc/43/47/27/538434727.db2.gz WDKCQXNJKVLUJI-QWRGUYRKSA-N 2 1 184.327 1.526 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@@H](C1CC1)[NH+](C)C 388762413 538437028 /nfs/dbraw/zinc/43/70/28/538437028.db2.gz VUQGRTIMKJFQEK-JQWIXIFHSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)[NH+](C)C 388762424 538437122 /nfs/dbraw/zinc/43/71/22/538437122.db2.gz VUQGRTIMKJFQEK-PWSUYJOCSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@H](C1CC1)[NH+](C)C 388762411 538437402 /nfs/dbraw/zinc/43/74/02/538437402.db2.gz VUQGRTIMKJFQEK-CMPLNLGQSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@H](C1CC1)[NH+](C)C 388762427 538437511 /nfs/dbraw/zinc/43/75/11/538437511.db2.gz VUQGRTIMKJFQEK-ZYHUDNBSSA-N 2 1 198.354 1.962 20 0 ADADMP CCC[C@H](C)[NH2+]CCc1c[nH+]cn1C 389231093 538439468 /nfs/dbraw/zinc/43/94/68/538439468.db2.gz TYWIQJQDQBFPHG-JTQLQIEISA-N 2 1 195.310 1.741 20 0 ADADMP CCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C 389231094 538439486 /nfs/dbraw/zinc/43/94/86/538439486.db2.gz TYWIQJQDQBFPHG-SNVBAGLBSA-N 2 1 195.310 1.741 20 0 ADADMP Cn1c[nH+]cc1CC[NH2+]C1CCCC1 389265974 538439749 /nfs/dbraw/zinc/43/97/49/538439749.db2.gz JKUOBFDFSZPJQN-UHFFFAOYSA-N 2 1 193.294 1.495 20 0 ADADMP CC(C)[C@H](C)[NH2+]CCc1c[nH+]cn1C 389263300 538439824 /nfs/dbraw/zinc/43/98/24/538439824.db2.gz HLHOHLQMTQNOKH-JTQLQIEISA-N 2 1 195.310 1.597 20 0 ADADMP CC(C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C 389263302 538439865 /nfs/dbraw/zinc/43/98/65/538439865.db2.gz HLHOHLQMTQNOKH-SNVBAGLBSA-N 2 1 195.310 1.597 20 0 ADADMP C[NH2+]CCC[N@H+]1CCCC[C@@H]1C 20047774 541301163 /nfs/dbraw/zinc/30/11/63/541301163.db2.gz WUTBICCRPDMBRD-JTQLQIEISA-N 2 1 170.300 1.470 20 0 ADADMP C[NH2+]CCC[N@H+]1CCCC[C@H]1C 20047777 541301440 /nfs/dbraw/zinc/30/14/40/541301440.db2.gz WUTBICCRPDMBRD-SNVBAGLBSA-N 2 1 170.300 1.470 20 0 ADADMP CCC(CC)[N@H+](CC[NH3+])CCOC 42614255 541302058 /nfs/dbraw/zinc/30/20/58/541302058.db2.gz SDHLFLSROQAXTH-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CCC(CC)[N@@H+](CC[NH3+])CCOC 42614255 541302064 /nfs/dbraw/zinc/30/20/64/541302064.db2.gz SDHLFLSROQAXTH-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1cccnc1C 163329846 541311705 /nfs/dbraw/zinc/31/17/05/541311705.db2.gz WWMIJKSYXMHBLV-UHFFFAOYSA-N 2 1 193.294 1.089 20 0 ADADMP C[NH+](C)[C@H](C[NH2+]CC(C)(C)C)C1CC1 163797076 757004991 /nfs/dbraw/zinc/00/49/91/757004991.db2.gz SYWSZLQPEUWGSC-LLVKDONJSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)C)C1CC1 163796965 757006627 /nfs/dbraw/zinc/00/66/27/757006627.db2.gz SYWSZLQPEUWGSC-NSHDSACASA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 205466695 757030736 /nfs/dbraw/zinc/03/07/36/757030736.db2.gz NLLMMVOCJHWHMO-WDEREUQCSA-N 2 1 182.311 1.278 20 0 ADADMP CC(C)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 205466695 757030742 /nfs/dbraw/zinc/03/07/42/757030742.db2.gz NLLMMVOCJHWHMO-WDEREUQCSA-N 2 1 182.311 1.278 20 0 ADADMP CC(C)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 205466695 757030758 /nfs/dbraw/zinc/03/07/58/757030758.db2.gz NLLMMVOCJHWHMO-WDEREUQCSA-N 2 1 182.311 1.278 20 0 ADADMP C[N@@H+](CCCF)CC[C@H]1CC[NH2+]C1 716791451 674026379 /nfs/dbraw/zinc/02/63/79/674026379.db2.gz SNCIWAFKPIHNKB-SNVBAGLBSA-N 2 1 188.290 1.277 20 0 ADADMP C[N@H+](CCCF)C[C@@H]([NH3+])CC(F)F 716754845 674026384 /nfs/dbraw/zinc/02/63/84/674026384.db2.gz XWNPTFXKXFGQLE-ZETCQYMHSA-N 2 1 198.232 1.260 20 0 ADADMP C[N@@H+](CCCF)C[C@@H]([NH3+])CC(F)F 716754845 674026385 /nfs/dbraw/zinc/02/63/85/674026385.db2.gz XWNPTFXKXFGQLE-ZETCQYMHSA-N 2 1 198.232 1.260 20 0 ADADMP C[N@@H+](CCCC1CC1)CC(C)(C)[NH3+] 400698899 757137388 /nfs/dbraw/zinc/13/73/88/757137388.db2.gz IULGHJBANOENRW-UHFFFAOYSA-N 2 1 184.327 1.846 20 0 ADADMP C[N@@H+](CCCC1CC1)C1CC[NH2+]CC1 400758389 757141055 /nfs/dbraw/zinc/14/10/55/757141055.db2.gz WVHXERDKBQDKAX-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 401664097 757153479 /nfs/dbraw/zinc/15/34/79/757153479.db2.gz ZSQMPHPPKLRHGC-RHYQMDGZSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]C[C@H](C)C2)C1 401664099 757154078 /nfs/dbraw/zinc/15/40/78/757154078.db2.gz ZSQMPHPPKLRHGC-WISYIIOYSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)C1 401664100 757156822 /nfs/dbraw/zinc/15/68/22/757156822.db2.gz ZSQMPHPPKLRHGC-WYUUTHIRSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@@H](C)C2)C1 401664096 757157863 /nfs/dbraw/zinc/15/78/63/757157863.db2.gz ZSQMPHPPKLRHGC-NOOOWODRSA-N 2 1 196.338 1.763 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403649618 757182610 /nfs/dbraw/zinc/18/26/10/757182610.db2.gz QZGXCBNLTVEDTB-UTUOFQBUSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 403649618 757182616 /nfs/dbraw/zinc/18/26/16/757182616.db2.gz QZGXCBNLTVEDTB-UTUOFQBUSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 403649613 757183735 /nfs/dbraw/zinc/18/37/35/757183735.db2.gz QZGXCBNLTVEDTB-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 403649613 757183742 /nfs/dbraw/zinc/18/37/42/757183742.db2.gz QZGXCBNLTVEDTB-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1CCC[N@@H+](CCF)[C@H]1CC[NH3+] 404369540 757188256 /nfs/dbraw/zinc/18/82/56/757188256.db2.gz IIYZKSDWCNHNRP-ZJUUUORDSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]1CCC[N@@H+](CCF)[C@@H]1CC[NH3+] 404369532 757191210 /nfs/dbraw/zinc/19/12/10/757191210.db2.gz IIYZKSDWCNHNRP-NXEZZACHSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@H]1CCC[N@@H+](CCF)[C@@H]1CC[NH3+] 404369538 757191430 /nfs/dbraw/zinc/19/14/30/757191430.db2.gz IIYZKSDWCNHNRP-VHSXEESVSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@H]1CCC[N@@H+](CCF)[C@H]1CC[NH3+] 404369535 757192095 /nfs/dbraw/zinc/19/20/95/757192095.db2.gz IIYZKSDWCNHNRP-UWVGGRQHSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CC1 405962927 757222309 /nfs/dbraw/zinc/22/23/09/757222309.db2.gz PPTKNJWPWDAPIG-MWLCHTKSSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CC1 405962927 757222322 /nfs/dbraw/zinc/22/23/22/757222322.db2.gz PPTKNJWPWDAPIG-MWLCHTKSSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CC1 405962924 757226847 /nfs/dbraw/zinc/22/68/47/757226847.db2.gz PPTKNJWPWDAPIG-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CC1 405962924 757226875 /nfs/dbraw/zinc/22/68/75/757226875.db2.gz PPTKNJWPWDAPIG-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CC1 405962926 757227608 /nfs/dbraw/zinc/22/76/08/757227608.db2.gz PPTKNJWPWDAPIG-KOLCDFICSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CC1 405962926 757227620 /nfs/dbraw/zinc/22/76/20/757227620.db2.gz PPTKNJWPWDAPIG-KOLCDFICSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CC1 405962928 757234792 /nfs/dbraw/zinc/23/47/92/757234792.db2.gz PPTKNJWPWDAPIG-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CC1 405962928 757234819 /nfs/dbraw/zinc/23/48/19/757234819.db2.gz PPTKNJWPWDAPIG-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](CCCC2CC2)C1 406046729 757235885 /nfs/dbraw/zinc/23/58/85/757235885.db2.gz YDTFFFPZSKGAIK-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](CCCC2CC2)C1 406046731 757238902 /nfs/dbraw/zinc/23/89/02/757238902.db2.gz YDTFFFPZSKGAIK-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H](CF)C1 642832631 757263449 /nfs/dbraw/zinc/26/34/49/757263449.db2.gz ZXELFVUZXNAZFU-MRVPVSSYSA-N 2 1 174.263 1.015 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](CF)C1 642832632 757264853 /nfs/dbraw/zinc/26/48/53/757264853.db2.gz ZXELFVUZXNAZFU-QMMMGPOBSA-N 2 1 174.263 1.015 20 0 ADADMP CC1CC(C[N@@H+](C)C2CC([NH3+])C2)C1 642849095 757266422 /nfs/dbraw/zinc/26/64/22/757266422.db2.gz RXNMOLFKYSVHHM-UHFFFAOYSA-N 2 1 182.311 1.454 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1 235095066 572058838 /nfs/dbraw/zinc/05/88/38/572058838.db2.gz SVILCEGHHBHQCG-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CC2CC(C)C2)C1 642861638 757271147 /nfs/dbraw/zinc/27/11/47/757271147.db2.gz UJONYHURSUMNFW-ILDUYXDCSA-N 2 1 182.311 1.326 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CC2CC(C)C2)C1 642861638 757271182 /nfs/dbraw/zinc/27/11/82/757271182.db2.gz UJONYHURSUMNFW-ILDUYXDCSA-N 2 1 182.311 1.326 20 0 ADADMP CC1CC(C[N@H+]2CC[C@H](C[NH3+])C2)C1 642861057 757272985 /nfs/dbraw/zinc/27/29/85/757272985.db2.gz PWNUQGMHCNFRAL-HSOILSAZSA-N 2 1 182.311 1.313 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H](C[NH3+])C2)C1 642861058 757275105 /nfs/dbraw/zinc/27/51/05/757275105.db2.gz PWNUQGMHCNFRAL-YVNMAJEFSA-N 2 1 182.311 1.313 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CC2CC(C)C2)C1 642861639 757278787 /nfs/dbraw/zinc/27/87/87/757278787.db2.gz UJONYHURSUMNFW-VQXHTEKXSA-N 2 1 182.311 1.326 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CC2CC(C)C2)C1 642861639 757278814 /nfs/dbraw/zinc/27/88/14/757278814.db2.gz UJONYHURSUMNFW-VQXHTEKXSA-N 2 1 182.311 1.326 20 0 ADADMP CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 687297278 757313371 /nfs/dbraw/zinc/31/33/71/757313371.db2.gz QJUWNFXCDIVCGW-ZJUUUORDSA-N 2 1 180.295 1.080 20 0 ADADMP CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 687297278 757313384 /nfs/dbraw/zinc/31/33/84/757313384.db2.gz QJUWNFXCDIVCGW-ZJUUUORDSA-N 2 1 180.295 1.080 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCCC1CCC1 688364201 757334387 /nfs/dbraw/zinc/33/43/87/757334387.db2.gz ARZCTFMSOHEWQI-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCCC1CCC1 688364200 757337761 /nfs/dbraw/zinc/33/77/61/757337761.db2.gz ARZCTFMSOHEWQI-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 690737714 757355689 /nfs/dbraw/zinc/35/56/89/757355689.db2.gz LSEWHYSQCMDHAU-CITMHJQUSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 690737731 757356547 /nfs/dbraw/zinc/35/65/47/757356547.db2.gz LSEWHYSQCMDHAU-RZXPJHQTSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C/Cl)C1 690737725 757357477 /nfs/dbraw/zinc/35/74/77/757357477.db2.gz LSEWHYSQCMDHAU-PWTMJPFMSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](C/C=C\Cl)C1 690737720 757358721 /nfs/dbraw/zinc/35/87/21/757358721.db2.gz LSEWHYSQCMDHAU-LVXRCVOFSA-N 2 1 188.702 1.410 20 0 ADADMP CC1CC(C[NH2+][C@H]2CCC[NH2+][C@H]2C)C1 691885179 757360994 /nfs/dbraw/zinc/36/09/94/757360994.db2.gz HHPBQXNZZDEEQE-ADPBJBESSA-N 2 1 196.338 1.763 20 0 ADADMP CC1CC(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 691885183 757362148 /nfs/dbraw/zinc/36/21/48/757362148.db2.gz HHPBQXNZZDEEQE-RSJDFQLWSA-N 2 1 196.338 1.763 20 0 ADADMP CC1CC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 691885185 757365580 /nfs/dbraw/zinc/36/55/80/757365580.db2.gz HHPBQXNZZDEEQE-RUJICJSRSA-N 2 1 196.338 1.763 20 0 ADADMP CC1CC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 691885181 757367429 /nfs/dbraw/zinc/36/74/29/757367429.db2.gz HHPBQXNZZDEEQE-POSLAHMBSA-N 2 1 196.338 1.763 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CC1CC(C)C1 691933762 757368155 /nfs/dbraw/zinc/36/81/55/757368155.db2.gz GFRJKFFTDOODFS-UHFFFAOYSA-N 2 1 184.327 1.574 20 0 ADADMP CC1CC(C[N@@H+](C)CC(C)(C)C[NH3+])C1 691961471 757372168 /nfs/dbraw/zinc/37/21/68/757372168.db2.gz HUXHAYQFQZYEMM-UHFFFAOYSA-N 2 1 198.354 1.949 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC(C)C2)C1 691963406 757373577 /nfs/dbraw/zinc/37/35/77/757373577.db2.gz ULZRKWGDCZAOQX-MOENNCHZSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 691963405 757374905 /nfs/dbraw/zinc/37/49/05/757374905.db2.gz ULZRKWGDCZAOQX-CXQJBGSLSA-N 2 1 196.338 1.574 20 0 ADADMP C1=CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 692037220 757374935 /nfs/dbraw/zinc/37/49/35/757374935.db2.gz JXKFYSQADJSIKG-NEPJUHHUSA-N 2 1 192.306 1.246 20 0 ADADMP CCC(C)(C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 695151493 757402937 /nfs/dbraw/zinc/40/29/37/757402937.db2.gz KOWRPBNZUKFZCJ-DTWKUNHWSA-N 2 1 172.316 1.748 20 0 ADADMP CCC(C)(C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 695151809 757406557 /nfs/dbraw/zinc/40/65/57/757406557.db2.gz KOWRPBNZUKFZCJ-IUCAKERBSA-N 2 1 172.316 1.748 20 0 ADADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@H]1C 37911232 572237068 /nfs/dbraw/zinc/23/70/68/572237068.db2.gz JQDFUQBBJKCYRO-SNVBAGLBSA-N 2 1 170.300 1.469 20 0 ADADMP CC(C)[NH2+]CC[N@H+]1CCC[C@H]1C 37911232 572237069 /nfs/dbraw/zinc/23/70/69/572237069.db2.gz JQDFUQBBJKCYRO-SNVBAGLBSA-N 2 1 170.300 1.469 20 0 ADADMP [NH3+]C1(C[NH2+]C2CCC3(CC2)CC3)CC1 695660815 757409929 /nfs/dbraw/zinc/40/99/29/757409929.db2.gz UELABNUFZZOIPP-UHFFFAOYSA-N 2 1 194.322 1.790 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1CCC2(CC1)CC2 695742638 757414263 /nfs/dbraw/zinc/41/42/63/757414263.db2.gz LHTRWQNKZHXTEK-VIFPVBQESA-N 2 1 182.311 1.646 20 0 ADADMP CC(C)=CCC[N@@H+](C)C[C@H](C)[NH3+] 697613505 757434487 /nfs/dbraw/zinc/43/44/87/757434487.db2.gz OKLUPYLURZWBSJ-JTQLQIEISA-N 2 1 170.300 1.622 20 0 ADADMP CC(C)=CCC[N@H+](C)C[C@H](C)[NH3+] 697613505 757434498 /nfs/dbraw/zinc/43/44/98/757434498.db2.gz OKLUPYLURZWBSJ-JTQLQIEISA-N 2 1 170.300 1.622 20 0 ADADMP CC(C)=CCC[N@@H+](C)C[C@@H](C)[NH3+] 697613507 757437518 /nfs/dbraw/zinc/43/75/18/757437518.db2.gz OKLUPYLURZWBSJ-SNVBAGLBSA-N 2 1 170.300 1.622 20 0 ADADMP CC(C)=CCC[N@H+](C)C[C@@H](C)[NH3+] 697613507 757437535 /nfs/dbraw/zinc/43/75/35/757437535.db2.gz OKLUPYLURZWBSJ-SNVBAGLBSA-N 2 1 170.300 1.622 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C)CC1 698122000 757441176 /nfs/dbraw/zinc/44/11/76/757441176.db2.gz VKSXTHMFWNZPBM-GHMZBOCLSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C)CC1 698122003 757443002 /nfs/dbraw/zinc/44/30/02/757443002.db2.gz VKSXTHMFWNZPBM-QWRGUYRKSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1(C)CC1 698122005 757447108 /nfs/dbraw/zinc/44/71/08/757447108.db2.gz VKSXTHMFWNZPBM-WDEREUQCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1(C)CC1 698122002 757447303 /nfs/dbraw/zinc/44/73/03/757447303.db2.gz VKSXTHMFWNZPBM-MNOVXSKESA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 698222869 757449603 /nfs/dbraw/zinc/44/96/03/757449603.db2.gz UWAGIZNJHTWEMG-DCAQKATOSA-N 2 1 180.295 1.435 20 0 ADADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1CCC[NH2+]1 698222873 757450644 /nfs/dbraw/zinc/45/06/44/757450644.db2.gz UWAGIZNJHTWEMG-HBNTYKKESA-N 2 1 180.295 1.435 20 0 ADADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 698197230 757451234 /nfs/dbraw/zinc/45/12/34/757451234.db2.gz QBJNZTXHNQKRGY-TUAOUCFPSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@H]1CCC[NH2+]1 698222871 757451251 /nfs/dbraw/zinc/45/12/51/757451251.db2.gz UWAGIZNJHTWEMG-GARJFASQSA-N 2 1 180.295 1.435 20 0 ADADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@H]1CCCC[NH2+]1 698197224 757451387 /nfs/dbraw/zinc/45/13/87/757451387.db2.gz QBJNZTXHNQKRGY-SDDRHHMPSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@H]1CCCC[NH2+]1 698197220 757452336 /nfs/dbraw/zinc/45/23/36/757452336.db2.gz QBJNZTXHNQKRGY-QJPTWQEYSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 698197227 757452602 /nfs/dbraw/zinc/45/26/02/757452602.db2.gz QBJNZTXHNQKRGY-SRVKXCTJSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 698222866 757452919 /nfs/dbraw/zinc/45/29/19/757452919.db2.gz UWAGIZNJHTWEMG-AXFHLTTASA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CC[N@@H+]1C 698305298 757455223 /nfs/dbraw/zinc/45/52/23/757455223.db2.gz GVQMAOASSQFQQN-UTUOFQBUSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)CC[N@H+]1C 698305298 757455225 /nfs/dbraw/zinc/45/52/25/757455225.db2.gz GVQMAOASSQFQQN-UTUOFQBUSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CC[N@@H+]1C 698305295 757456249 /nfs/dbraw/zinc/45/62/49/757456249.db2.gz GVQMAOASSQFQQN-IJLUTSLNSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)CC[N@H+]1C 698305295 757456264 /nfs/dbraw/zinc/45/62/64/757456264.db2.gz GVQMAOASSQFQQN-IJLUTSLNSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CC[N@@H+]1C 698305294 757457487 /nfs/dbraw/zinc/45/74/87/757457487.db2.gz GVQMAOASSQFQQN-GRYCIOLGSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)CC[N@H+]1C 698305294 757457497 /nfs/dbraw/zinc/45/74/97/757457497.db2.gz GVQMAOASSQFQQN-GRYCIOLGSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CC[N@@H+]1C 698305299 757458456 /nfs/dbraw/zinc/45/84/56/757458456.db2.gz GVQMAOASSQFQQN-WOPDTQHZSA-N 2 1 194.322 1.777 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)CC[N@H+]1C 698305299 757458463 /nfs/dbraw/zinc/45/84/63/757458463.db2.gz GVQMAOASSQFQQN-WOPDTQHZSA-N 2 1 194.322 1.777 20 0 ADADMP [NH3+]CCCCCC[N@H+]1CC[C@H]2C[C@H]2C1 699202014 757461084 /nfs/dbraw/zinc/46/10/84/757461084.db2.gz RWLXIWRCZKNRCD-RYUDHWBXSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CCCCCC[N@H+]1CC[C@@H]2C[C@@H]2C1 699202015 757462736 /nfs/dbraw/zinc/46/27/36/757462736.db2.gz RWLXIWRCZKNRCD-VXGBXAGGSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2C[C@H]2C1 699295224 757467419 /nfs/dbraw/zinc/46/74/19/757467419.db2.gz VMUKYCQKHWXRFB-RHYQMDGZSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2C[C@@H]2C1 699295208 757467886 /nfs/dbraw/zinc/46/78/86/757467886.db2.gz VMUKYCQKHWXRFB-KKOKHZNYSA-N 2 1 194.322 1.184 20 0 ADADMP CC1CC(C[N@@H+]2C[C@@H]([NH3+])[C@H](C)C2)C1 885178613 757513979 /nfs/dbraw/zinc/51/39/79/757513979.db2.gz PQVULFLHAUIFNL-VGRIYTJTSA-N 2 1 182.311 1.312 20 0 ADADMP CC1CC(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)C1 885425110 757518008 /nfs/dbraw/zinc/51/80/08/757518008.db2.gz RUQFNUOXKZLPTM-YIYTYNFBSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)C1 885425110 757518026 /nfs/dbraw/zinc/51/80/26/757518026.db2.gz RUQFNUOXKZLPTM-YIYTYNFBSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)C1 885425109 757518790 /nfs/dbraw/zinc/51/87/90/757518790.db2.gz RUQFNUOXKZLPTM-VGRIYTJTSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)C1 885425109 757518806 /nfs/dbraw/zinc/51/88/06/757518806.db2.gz RUQFNUOXKZLPTM-VGRIYTJTSA-N 2 1 182.311 1.454 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 885425022 757520321 /nfs/dbraw/zinc/52/03/21/757520321.db2.gz FOWJVBWWWKQJRC-VHSXEESVSA-N 2 1 182.311 1.646 20 0 ADADMP CC1CC(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)C1 885425107 757522360 /nfs/dbraw/zinc/52/23/60/757522360.db2.gz RUQFNUOXKZLPTM-DJRKXVOMSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)C1 885425107 757522378 /nfs/dbraw/zinc/52/23/78/757522378.db2.gz RUQFNUOXKZLPTM-DJRKXVOMSA-N 2 1 182.311 1.454 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH3+])CC1 885425019 757522913 /nfs/dbraw/zinc/52/29/13/757522913.db2.gz FOWJVBWWWKQJRC-NXEZZACHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 885425021 757523822 /nfs/dbraw/zinc/52/38/22/757523822.db2.gz FOWJVBWWWKQJRC-UWVGGRQHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH3+])CC1 885425023 757524688 /nfs/dbraw/zinc/52/46/88/757524688.db2.gz FOWJVBWWWKQJRC-ZJUUUORDSA-N 2 1 182.311 1.646 20 0 ADADMP CC1CC(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)C1 885425108 757525817 /nfs/dbraw/zinc/52/58/17/757525817.db2.gz RUQFNUOXKZLPTM-QONHTCSSSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)C1 885425108 757525838 /nfs/dbraw/zinc/52/58/38/757525838.db2.gz RUQFNUOXKZLPTM-QONHTCSSSA-N 2 1 182.311 1.454 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1 885838067 757548532 /nfs/dbraw/zinc/54/85/32/757548532.db2.gz WKMJUPIXFCWZBO-RUJICJSRSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 885835806 757549104 /nfs/dbraw/zinc/54/91/04/757549104.db2.gz GGNOEZUATRTZKG-CXQJBGSLSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 885834457 757554609 /nfs/dbraw/zinc/55/46/09/757554609.db2.gz FNOYEJWFTYOZLJ-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 885834456 757550161 /nfs/dbraw/zinc/55/01/61/757550161.db2.gz FNOYEJWFTYOZLJ-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)C1 885838063 757552403 /nfs/dbraw/zinc/55/24/03/757552403.db2.gz WKMJUPIXFCWZBO-POSLAHMBSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[N@H+]2CCC[C@H](C[NH3+])C2)C1 885835807 757555123 /nfs/dbraw/zinc/55/51/23/757555123.db2.gz GGNOEZUATRTZKG-MOENNCHZSA-N 2 1 196.338 1.703 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1 885838061 757555688 /nfs/dbraw/zinc/55/56/88/757555688.db2.gz WKMJUPIXFCWZBO-ADPBJBESSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 885835884 757557971 /nfs/dbraw/zinc/55/79/71/757557971.db2.gz SYLYTIWGEZBSID-MCIGGMRASA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H](C)C[N@H+]1CCC[C@@]12CC[NH2+]C2 885834454 757558776 /nfs/dbraw/zinc/55/87/76/757558776.db2.gz FNOYEJWFTYOZLJ-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1 885838065 757560039 /nfs/dbraw/zinc/56/00/39/757560039.db2.gz WKMJUPIXFCWZBO-RSJDFQLWSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H](C)C[N@H+]1CCC[C@]12CC[NH2+]C2 885834459 757560578 /nfs/dbraw/zinc/56/05/78/757560578.db2.gz FNOYEJWFTYOZLJ-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CC1CC(C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 885835883 757561250 /nfs/dbraw/zinc/56/12/50/757561250.db2.gz SYLYTIWGEZBSID-HTAVTVPLSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@@H+]1C 1116483696 757597080 /nfs/dbraw/zinc/59/70/80/757597080.db2.gz UEMIVVACXPQTEP-ZJUUUORDSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@H+]1C 1116483696 757597094 /nfs/dbraw/zinc/59/70/94/757597094.db2.gz UEMIVVACXPQTEP-ZJUUUORDSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@@H+]1C 1116483695 757601606 /nfs/dbraw/zinc/60/16/06/757601606.db2.gz UEMIVVACXPQTEP-VHSXEESVSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@H+]1C 1116483695 757601647 /nfs/dbraw/zinc/60/16/47/757601647.db2.gz UEMIVVACXPQTEP-VHSXEESVSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@@H+]1C 1116483693 757610600 /nfs/dbraw/zinc/61/06/00/757610600.db2.gz UEMIVVACXPQTEP-NXEZZACHSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2(C)CC2)CC[N@H+]1C 1116483693 757610615 /nfs/dbraw/zinc/61/06/15/757610615.db2.gz UEMIVVACXPQTEP-NXEZZACHSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@@H+]1C 1116483694 757612339 /nfs/dbraw/zinc/61/23/39/757612339.db2.gz UEMIVVACXPQTEP-UWVGGRQHSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2(C)CC2)CC[N@H+]1C 1116483694 757612348 /nfs/dbraw/zinc/61/23/48/757612348.db2.gz UEMIVVACXPQTEP-UWVGGRQHSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]([NH2+]C1(C)CC1)[C@H]1CCC[NH2+]1 1118118000 757653004 /nfs/dbraw/zinc/65/30/04/757653004.db2.gz BSLPAGIIIHAJLK-DTWKUNHWSA-N 2 1 168.284 1.269 20 0 ADADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccoc1 1118058133 757653667 /nfs/dbraw/zinc/65/36/67/757653667.db2.gz JFTXJJAIXHGUTB-VHSXEESVSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccoc1 1118058130 757656612 /nfs/dbraw/zinc/65/66/12/757656612.db2.gz JFTXJJAIXHGUTB-UWVGGRQHSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccoc1 1118058135 757659113 /nfs/dbraw/zinc/65/91/13/757659113.db2.gz JFTXJJAIXHGUTB-ZJUUUORDSA-N 2 1 196.294 1.786 20 0 ADADMP C[C@@H]([NH2+]C1(C)CC1)[C@H]1CCC[NH2+]1 1118118001 757661413 /nfs/dbraw/zinc/66/14/13/757661413.db2.gz BSLPAGIIIHAJLK-RKDXNWHRSA-N 2 1 168.284 1.269 20 0 ADADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccoc1 1118058128 757663048 /nfs/dbraw/zinc/66/30/48/757663048.db2.gz JFTXJJAIXHGUTB-NXEZZACHSA-N 2 1 196.294 1.786 20 0 ADADMP CSCC[N@@H+]1CCCC[C@H]1C[NH3+] 129331862 573270747 /nfs/dbraw/zinc/27/07/47/573270747.db2.gz CQCLAEXYDFBLRX-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP CSCC[N@H+]1CCCC[C@H]1C[NH3+] 129331862 573270753 /nfs/dbraw/zinc/27/07/53/573270753.db2.gz CQCLAEXYDFBLRX-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP CCCCCC[N@H+]1CC[C@H](C[NH3+])C1 50245195 573337476 /nfs/dbraw/zinc/33/74/76/573337476.db2.gz PRABBXJNYWPGCS-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 211345982 573365393 /nfs/dbraw/zinc/36/53/93/573365393.db2.gz QLXPEMZVDCJUIV-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)CC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 211345982 573365396 /nfs/dbraw/zinc/36/53/96/573365396.db2.gz QLXPEMZVDCJUIV-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C1C[C@@H]2CC[N@H+](C3CC3)C[C@H]2C[NH2+]1 107227944 573436410 /nfs/dbraw/zinc/43/64/10/573436410.db2.gz YXQCDIWPBKUKOB-NXEZZACHSA-N 2 1 180.295 1.080 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+]C[C@@H]2C1 107229780 573437161 /nfs/dbraw/zinc/43/71/61/573437161.db2.gz QNBSALZWEPWOAA-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCC[C@@H](C)C1 235273265 571717007 /nfs/dbraw/zinc/71/70/07/571717007.db2.gz XWCRLMXDYBDKDM-OUAUKWLOSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H](C)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 42556569 572036108 /nfs/dbraw/zinc/03/61/08/572036108.db2.gz CILRSPPOCUMSKH-BBBLOLIVSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H](C)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 42556569 572036110 /nfs/dbraw/zinc/03/61/10/572036110.db2.gz CILRSPPOCUMSKH-BBBLOLIVSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H](C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 42556575 572036625 /nfs/dbraw/zinc/03/66/25/572036625.db2.gz CILRSPPOCUMSKH-UTLUCORTSA-N 2 1 170.300 1.454 20 0 ADADMP CCCC[NH2+][C@@H]1CCC[NH2+]C1 43323974 572129658 /nfs/dbraw/zinc/12/96/58/572129658.db2.gz UUBRATADBZZTPW-SECBINFHSA-N 2 1 156.273 1.128 20 0 ADADMP CC[C@@H](C)[NH2+]Cc1c[nH]cn1 54762870 572721685 /nfs/dbraw/zinc/72/16/85/572721685.db2.gz DZOUQZOCURISOS-SSDOTTSWSA-N 2 1 153.229 1.298 20 0 ADADMP C[C@H]([NH2+]Cc1c[nH]cn1)c1ccc[nH]1 308624877 573568260 /nfs/dbraw/zinc/56/82/60/573568260.db2.gz VMOVYCMRUUFLIE-QMMMGPOBSA-N 2 1 190.250 1.589 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCC1CCCC1 258808819 573593353 /nfs/dbraw/zinc/59/33/53/573593353.db2.gz SDVUZIHENXPBLA-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2ccccc2)CC1 83836964 573675809 /nfs/dbraw/zinc/67/58/09/573675809.db2.gz UMQDINONKAQMNQ-UHFFFAOYSA-N 2 1 176.263 1.268 20 0 ADADMP CC(C)(C)C[NH2+]CC1([NH3+])CC1 83836978 573681621 /nfs/dbraw/zinc/68/16/21/573681621.db2.gz YDWDCBLFUWILDQ-UHFFFAOYSA-N 2 1 156.273 1.113 20 0 ADADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc[nH]c1 258934753 573774946 /nfs/dbraw/zinc/77/49/46/573774946.db2.gz JPWUZTVOFGFJRE-GHMZBOCLSA-N 2 1 193.294 1.374 20 0 ADADMP CC[N@H+](C[C@H]([NH3+])CC(F)F)C1CC1 393570156 573906447 /nfs/dbraw/zinc/90/64/47/573906447.db2.gz VRJJZBISEUVSGG-SSDOTTSWSA-N 2 1 192.253 1.453 20 0 ADADMP CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 393570156 573906449 /nfs/dbraw/zinc/90/64/49/573906449.db2.gz VRJJZBISEUVSGG-SSDOTTSWSA-N 2 1 192.253 1.453 20 0 ADADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])cn1 308468542 573939005 /nfs/dbraw/zinc/93/90/05/573939005.db2.gz AVAMCLFRFILQFF-UHFFFAOYSA-N 2 1 193.294 1.217 20 0 ADADMP CC[N@@H+](CCC[NH2+]C)C(C)C 42409485 573940107 /nfs/dbraw/zinc/94/01/07/573940107.db2.gz NUDKMUYBBDJZIH-UHFFFAOYSA-N 2 1 158.289 1.326 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C 242498680 573951477 /nfs/dbraw/zinc/95/14/77/573951477.db2.gz HNHRRIHQGLYAAT-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP [NH3+]C1CC([NH2+]Cc2ccccc2F)C1 87651136 573994000 /nfs/dbraw/zinc/99/40/00/573994000.db2.gz ODASSBMJQNVBOZ-UHFFFAOYSA-N 2 1 194.253 1.405 20 0 ADADMP CC[C@H](C)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282087 574028111 /nfs/dbraw/zinc/02/81/11/574028111.db2.gz OQUDHTHONLZOLZ-FIQHERPVSA-N 2 1 196.338 1.572 20 0 ADADMP CC[C@H](C)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282085 574028459 /nfs/dbraw/zinc/02/84/59/574028459.db2.gz OQUDHTHONLZOLZ-WHOHXGKFSA-N 2 1 196.338 1.572 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCF)C1 87774037 574029322 /nfs/dbraw/zinc/02/93/22/574029322.db2.gz YLEKLKHOIKZCIJ-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCF)C1 87774037 574029323 /nfs/dbraw/zinc/02/93/23/574029323.db2.gz YLEKLKHOIKZCIJ-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCF)C1 87774039 574029586 /nfs/dbraw/zinc/02/95/86/574029586.db2.gz YLEKLKHOIKZCIJ-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCF)C1 87774039 574029588 /nfs/dbraw/zinc/02/95/88/574029588.db2.gz YLEKLKHOIKZCIJ-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCF)C1 87774036 574029797 /nfs/dbraw/zinc/02/97/97/574029797.db2.gz YLEKLKHOIKZCIJ-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCF)C1 87774036 574029799 /nfs/dbraw/zinc/02/97/99/574029799.db2.gz YLEKLKHOIKZCIJ-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP CC[NH+]1CCC([NH2+]C2(C)CC2)CC1 1169220844 760954492 /nfs/dbraw/zinc/95/44/92/760954492.db2.gz UEUOOKNIVQEDFP-UHFFFAOYSA-N 2 1 182.311 1.613 20 0 ADADMP CC(C)[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1176070924 761424023 /nfs/dbraw/zinc/42/40/23/761424023.db2.gz UEGAJBMIHYNHKT-WDEREUQCSA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1176070924 761424028 /nfs/dbraw/zinc/42/40/28/761424028.db2.gz UEGAJBMIHYNHKT-WDEREUQCSA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1176070924 761424033 /nfs/dbraw/zinc/42/40/33/761424033.db2.gz UEGAJBMIHYNHKT-WDEREUQCSA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1176070924 761424036 /nfs/dbraw/zinc/42/40/36/761424036.db2.gz UEGAJBMIHYNHKT-WDEREUQCSA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1176070924 761424041 /nfs/dbraw/zinc/42/40/41/761424041.db2.gz UEGAJBMIHYNHKT-WDEREUQCSA-N 2 1 182.311 1.563 20 0 ADADMP CC[C@H](C)[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1176071723 761425931 /nfs/dbraw/zinc/42/59/31/761425931.db2.gz ZDJDFRFBZJRGPW-SDDRHHMPSA-N 2 1 196.338 1.953 20 0 ADADMP CC[C@@H](C)[N@H+]1[C@H]2CC[C@@H]1CN(C)CC2 1176071718 761427610 /nfs/dbraw/zinc/42/76/10/761427610.db2.gz ZDJDFRFBZJRGPW-GRYCIOLGSA-N 2 1 196.338 1.953 20 0 ADADMP CCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1201706670 761807573 /nfs/dbraw/zinc/80/75/73/761807573.db2.gz PEEVHMDSMFXTRF-NEPJUHHUSA-N 2 1 196.338 1.670 20 0 ADADMP CCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1201706670 761807574 /nfs/dbraw/zinc/80/75/74/761807574.db2.gz PEEVHMDSMFXTRF-NEPJUHHUSA-N 2 1 196.338 1.670 20 0 ADADMP CCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1201706670 761807581 /nfs/dbraw/zinc/80/75/81/761807581.db2.gz PEEVHMDSMFXTRF-NEPJUHHUSA-N 2 1 196.338 1.670 20 0 ADADMP CC[NH+]1CCC(C[N@@H+](C)C2CC2)CC1 1208595437 762231941 /nfs/dbraw/zinc/23/19/41/762231941.db2.gz STLNVWKMQMNAIM-UHFFFAOYSA-N 2 1 196.338 1.813 20 0 ADADMP CCCCC[N@@H+](C)C[C@@H](C)[NH3+] 37165634 1169075224 /nfs/dbraw/zinc/07/52/24/1169075224.db2.gz FXIYMZVPVPZEQN-SECBINFHSA-N 2 1 158.289 1.456 20 0 ADADMP CC(C)CC[NH2+]C[C@H]1CCC[N@@H+](C)C1 44535285 1169090871 /nfs/dbraw/zinc/09/08/71/1169090871.db2.gz BHQYJLGFBHYOHM-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CCCC1CC[NH+](C[C@H](C)[NH3+])CC1 50893355 1169092781 /nfs/dbraw/zinc/09/27/81/1169092781.db2.gz VKRBBYDYZOSTAK-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CCCC1CC[NH+](C[C@@H](C)[NH3+])CC1 50893354 1169093503 /nfs/dbraw/zinc/09/35/03/1169093503.db2.gz VKRBBYDYZOSTAK-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP NCC[N@H+]1CC[C@H](C2CCCC2)C1 82875428 1169112348 /nfs/dbraw/zinc/11/23/48/1169112348.db2.gz JXHNFUHMQQVASA-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]CC[N@@H+]1CC[C@H](C2CCCC2)C1 82875428 1169112351 /nfs/dbraw/zinc/11/23/51/1169112351.db2.gz JXHNFUHMQQVASA-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP NCC[N@H+]1CC[C@@H](C2CCCC2)C1 82875427 1169113045 /nfs/dbraw/zinc/11/30/45/1169113045.db2.gz JXHNFUHMQQVASA-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]CC[N@@H+]1CC[C@@H](C2CCCC2)C1 82875427 1169113053 /nfs/dbraw/zinc/11/30/53/1169113053.db2.gz JXHNFUHMQQVASA-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 233998073 673914080 /nfs/dbraw/zinc/91/40/80/673914080.db2.gz AWQHKKKGSUCVHD-CIUDSAMLSA-N 2 1 158.289 1.358 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 306777762 673914389 /nfs/dbraw/zinc/91/43/89/673914389.db2.gz NRBQRCRHPBSCOL-TUAOUCFPSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 722692634 673914552 /nfs/dbraw/zinc/91/45/52/673914552.db2.gz MDGNGXUCZWOOOZ-WRWGMCAJSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 722682042 673914729 /nfs/dbraw/zinc/91/47/29/673914729.db2.gz KRKCKNIWJMVNGI-LNFKQOIKSA-N 2 1 182.311 1.169 20 0 ADADMP C[C@@H]1C[N@H+](C[C@H]2C[C@H]2C)C[C@H]1C[NH3+] 722682040 673915079 /nfs/dbraw/zinc/91/50/79/673915079.db2.gz KRKCKNIWJMVNGI-GWOFURMSSA-N 2 1 182.311 1.169 20 0 ADADMP CCCCC[N@@H+](C)C[C@H](C)[NH3+] 37165636 673915651 /nfs/dbraw/zinc/91/56/51/673915651.db2.gz FXIYMZVPVPZEQN-VIFPVBQESA-N 2 1 158.289 1.456 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 723102744 673924016 /nfs/dbraw/zinc/92/40/16/673924016.db2.gz MUNQMOITZPQHMX-TUAOUCFPSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@H](C)[NH3+] 723074770 673923524 /nfs/dbraw/zinc/92/35/24/673923524.db2.gz YARQQMQAJFNANI-AEJSXWLSSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]1C[NH2+]C 723074921 673923536 /nfs/dbraw/zinc/92/35/36/673923536.db2.gz YBUVNNQJHOXIAD-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](C[NH3+])C1 723074728 673923555 /nfs/dbraw/zinc/92/35/55/673923555.db2.gz XHEDBCZHBOMERI-UTUOFQBUSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](C[NH3+])C1 723074727 673923576 /nfs/dbraw/zinc/92/35/76/673923576.db2.gz XHEDBCZHBOMERI-TUAOUCFPSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 723074708 673923600 /nfs/dbraw/zinc/92/36/00/673923600.db2.gz WVJCJTCRCQKCME-WOPDTQHZSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 723074705 673923669 /nfs/dbraw/zinc/92/36/69/673923669.db2.gz WVJCJTCRCQKCME-GRYCIOLGSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C[NH2+]C 723074918 673923681 /nfs/dbraw/zinc/92/36/81/673923681.db2.gz YBUVNNQJHOXIAD-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 723072529 673923712 /nfs/dbraw/zinc/92/37/12/673923712.db2.gz FNFKUUVNLWEIBK-KXNHARMFSA-N 2 1 194.322 1.184 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]1C[NH3+] 723074058 673923719 /nfs/dbraw/zinc/92/37/19/673923719.db2.gz PLJCUBDCBJYKLR-OUAUKWLOSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]1C[NH3+] 723074058 673923721 /nfs/dbraw/zinc/92/37/21/673923721.db2.gz PLJCUBDCBJYKLR-OUAUKWLOSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH2+]C 723072546 673923729 /nfs/dbraw/zinc/92/37/29/673923729.db2.gz FUHZARXBAXHLKG-MNOVXSKESA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C[C@@H](C)[NH3+] 723074771 673923747 /nfs/dbraw/zinc/92/37/47/673923747.db2.gz YARQQMQAJFNANI-BBBLOLIVSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] 723072785 673923766 /nfs/dbraw/zinc/92/37/66/673923766.db2.gz GNZQLCXEJTUINU-MNOVXSKESA-N 2 1 198.354 1.949 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 723102746 673924041 /nfs/dbraw/zinc/92/40/41/673924041.db2.gz MUNQMOITZPQHMX-UTUOFQBUSA-N 2 1 196.338 1.703 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C1CC([NH3+])C1 723103209 673924076 /nfs/dbraw/zinc/92/40/76/673924076.db2.gz NLHVEWFRDYONLM-MFQSTILNSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723115861 673924512 /nfs/dbraw/zinc/92/45/12/673924512.db2.gz PRZYOEJDVGGRNA-CHWFTXMASA-N 2 1 182.311 1.312 20 0 ADADMP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723479304 673928443 /nfs/dbraw/zinc/92/84/43/673928443.db2.gz FPUCCFNEFAUXCR-IJLUTSLNSA-N 2 1 198.354 1.948 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]CC1CCCCC1 161998612 673939196 /nfs/dbraw/zinc/93/91/96/673939196.db2.gz SKNXNIYHLVRICC-VIFPVBQESA-N 2 1 170.300 1.504 20 0 ADADMP CCc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 161998872 673939528 /nfs/dbraw/zinc/93/95/28/673939528.db2.gz VOPNUSWLTSCNMS-JTQLQIEISA-N 2 1 192.306 1.686 20 0 ADADMP CCCC[NH2+]CC[N@H+]1CCC[C@@H]1C 53343149 673946471 /nfs/dbraw/zinc/94/64/71/673946471.db2.gz FGDKHGVBBFFZLM-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CC[C@@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 334981975 673948767 /nfs/dbraw/zinc/94/87/67/673948767.db2.gz WANLZSOOMYNIGF-MNOVXSKESA-N 2 1 182.311 1.613 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH3+])C1 167311354 673942814 /nfs/dbraw/zinc/94/28/14/673942814.db2.gz JPNHVUJKLTYZJR-AEJSXWLSSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 167311504 673943403 /nfs/dbraw/zinc/94/34/03/673943403.db2.gz JPNHVUJKLTYZJR-GUBZILKMSA-N 2 1 168.284 1.066 20 0 ADADMP CCCC[NH2+]CC[N@@H+]1CCC[C@@H]1C 53343149 673946469 /nfs/dbraw/zinc/94/64/69/673946469.db2.gz FGDKHGVBBFFZLM-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CC[C@@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278169 673946994 /nfs/dbraw/zinc/94/69/94/673946994.db2.gz ZHSCKXGHZAIJRP-ZNSHCXBVSA-N 2 1 182.311 1.277 20 0 ADADMP CC[C@@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278169 673946997 /nfs/dbraw/zinc/94/69/97/673946997.db2.gz ZHSCKXGHZAIJRP-ZNSHCXBVSA-N 2 1 182.311 1.277 20 0 ADADMP CC[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278167 673947188 /nfs/dbraw/zinc/94/71/88/673947188.db2.gz ZHSCKXGHZAIJRP-UKKRHICBSA-N 2 1 182.311 1.277 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278167 673947185 /nfs/dbraw/zinc/94/71/85/673947185.db2.gz ZHSCKXGHZAIJRP-UKKRHICBSA-N 2 1 182.311 1.277 20 0 ADADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1C=CCC1 925709557 673948182 /nfs/dbraw/zinc/94/81/82/673948182.db2.gz GNQDGWKUXUQDPT-ZJUUUORDSA-N 2 1 180.295 1.435 20 0 ADADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1C=CCC1 925709553 673948196 /nfs/dbraw/zinc/94/81/96/673948196.db2.gz GNQDGWKUXUQDPT-NXEZZACHSA-N 2 1 180.295 1.435 20 0 ADADMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1C=CCC1 925709556 673948275 /nfs/dbraw/zinc/94/82/75/673948275.db2.gz GNQDGWKUXUQDPT-VHSXEESVSA-N 2 1 180.295 1.435 20 0 ADADMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1C=CCC1 925709555 673948313 /nfs/dbraw/zinc/94/83/13/673948313.db2.gz GNQDGWKUXUQDPT-UWVGGRQHSA-N 2 1 180.295 1.435 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 334981976 673948756 /nfs/dbraw/zinc/94/87/56/673948756.db2.gz WANLZSOOMYNIGF-QWRGUYRKSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 334981976 673948759 /nfs/dbraw/zinc/94/87/59/673948759.db2.gz WANLZSOOMYNIGF-QWRGUYRKSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 334981975 673948769 /nfs/dbraw/zinc/94/87/69/673948769.db2.gz WANLZSOOMYNIGF-MNOVXSKESA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 334981974 673948880 /nfs/dbraw/zinc/94/88/80/673948880.db2.gz WANLZSOOMYNIGF-GHMZBOCLSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 334981974 673948882 /nfs/dbraw/zinc/94/88/82/673948882.db2.gz WANLZSOOMYNIGF-GHMZBOCLSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 334981977 673949008 /nfs/dbraw/zinc/94/90/08/673949008.db2.gz WANLZSOOMYNIGF-WDEREUQCSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 334981977 673949011 /nfs/dbraw/zinc/94/90/11/673949011.db2.gz WANLZSOOMYNIGF-WDEREUQCSA-N 2 1 182.311 1.613 20 0 ADADMP CC[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931726622 673950787 /nfs/dbraw/zinc/95/07/87/673950787.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 2 1 168.284 1.175 20 0 ADADMP CC[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931726622 673950790 /nfs/dbraw/zinc/95/07/90/673950790.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 2 1 168.284 1.175 20 0 ADADMP CC[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931726622 673950793 /nfs/dbraw/zinc/95/07/93/673950793.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 2 1 168.284 1.175 20 0 ADADMP CC[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931726622 673950797 /nfs/dbraw/zinc/95/07/97/673950797.db2.gz KCPJYDGQKNNKKV-ZJUUUORDSA-N 2 1 168.284 1.175 20 0 ADADMP C1CC(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 335010515 673955441 /nfs/dbraw/zinc/95/54/41/673955441.db2.gz SZNUYMGTFJASSV-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP C1CC(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)C1 335010515 673955443 /nfs/dbraw/zinc/95/54/43/673955443.db2.gz SZNUYMGTFJASSV-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP C1CC(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 335010516 673955448 /nfs/dbraw/zinc/95/54/48/673955448.db2.gz SZNUYMGTFJASSV-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP C1CC(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)C1 335010516 673955452 /nfs/dbraw/zinc/95/54/52/673955452.db2.gz SZNUYMGTFJASSV-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP C[N@@H+](CCC1C[NH2+]C1)CC1CCC1 129667196 1169183583 /nfs/dbraw/zinc/18/35/83/1169183583.db2.gz ORDVCVJZFXFJSK-UHFFFAOYSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]1CCC[N@@H+](CCC2C[NH2+]C2)C1 129443663 1169183849 /nfs/dbraw/zinc/18/38/49/1169183849.db2.gz YPIDFTXIXLBPDV-JTQLQIEISA-N 2 1 182.311 1.328 20 0 ADADMP [NH3+][C@@H]1CCC[N@H+](CCCC2CC2)C1 157105300 673966180 /nfs/dbraw/zinc/96/61/80/673966180.db2.gz VMBLJSULXPRXTC-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@@H]1CCC[N@@H+](CCCC2CC2)C1 157105300 673966184 /nfs/dbraw/zinc/96/61/84/673966184.db2.gz VMBLJSULXPRXTC-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP C[C@](C[NH3+])([NH2+]CCCC1CC1)C1CC1 157280512 673967113 /nfs/dbraw/zinc/96/71/13/673967113.db2.gz GXBQWJRFMMESLC-GFCCVEGCSA-N 2 1 196.338 1.894 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CCCC1CC1)C1CC1 157280659 673967168 /nfs/dbraw/zinc/96/71/68/673967168.db2.gz GXBQWJRFMMESLC-LBPRGKRZSA-N 2 1 196.338 1.894 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 229256211 673971481 /nfs/dbraw/zinc/97/14/81/673971481.db2.gz WWNLCAFADNVNDJ-GHMZBOCLSA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](CC[NH3+])C1 229256221 673971551 /nfs/dbraw/zinc/97/15/51/673971551.db2.gz WWNLCAFADNVNDJ-WDEREUQCSA-N 2 1 184.327 1.703 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CCCF)CC[N@H+]1C 158863961 673977416 /nfs/dbraw/zinc/97/74/16/673977416.db2.gz WMZWLTSELCIOOY-VHSXEESVSA-N 2 1 188.290 1.418 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CCCF)CC[N@H+]1C 158864083 673977431 /nfs/dbraw/zinc/97/74/31/673977431.db2.gz WMZWLTSELCIOOY-ZJUUUORDSA-N 2 1 188.290 1.418 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CCCF)CC[N@H+]1C 158864220 673977606 /nfs/dbraw/zinc/97/76/06/673977606.db2.gz WMZWLTSELCIOOY-UWVGGRQHSA-N 2 1 188.290 1.418 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)C1 700830407 673977964 /nfs/dbraw/zinc/97/79/64/673977964.db2.gz LCWRKIQASTWFBV-POSLAHMBSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[NH2+][C@@](C)(C[NH3+])C(C)C)C1 700849071 673978015 /nfs/dbraw/zinc/97/80/15/673978015.db2.gz DWGMYKVFZBBRFI-MCIGGMRASA-N 2 1 198.354 1.996 20 0 ADADMP CC1CC(C[N@@H+](C)C2CC[NH2+]CC2)C1 700882018 673978139 /nfs/dbraw/zinc/97/81/39/673978139.db2.gz ZMZDXJPNWPAPEC-UHFFFAOYSA-N 2 1 196.338 1.716 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 700830412 673978277 /nfs/dbraw/zinc/97/82/77/673978277.db2.gz LCWRKIQASTWFBV-RUJICJSRSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[NH2+][C@](C)(C[NH3+])C(C)C)C1 700849067 673978322 /nfs/dbraw/zinc/97/83/22/673978322.db2.gz DWGMYKVFZBBRFI-HTAVTVPLSA-N 2 1 198.354 1.996 20 0 ADADMP CC1CC(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 700830404 673978329 /nfs/dbraw/zinc/97/83/29/673978329.db2.gz LCWRKIQASTWFBV-ADPBJBESSA-N 2 1 196.338 1.702 20 0 ADADMP CC1CC(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 700830410 673978383 /nfs/dbraw/zinc/97/83/83/673978383.db2.gz LCWRKIQASTWFBV-RSJDFQLWSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCCC1 702363318 673979782 /nfs/dbraw/zinc/97/97/82/673979782.db2.gz NNYZXGHWDKTVSA-PWSUYJOCSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCCC1 702363320 673980085 /nfs/dbraw/zinc/98/00/85/673980085.db2.gz NNYZXGHWDKTVSA-ZYHUDNBSSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1=CCCC1 702363312 673980327 /nfs/dbraw/zinc/98/03/27/673980327.db2.gz NNYZXGHWDKTVSA-CMPLNLGQSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1=CCCC1 702363316 673980418 /nfs/dbraw/zinc/98/04/18/673980418.db2.gz NNYZXGHWDKTVSA-JQWIXIFHSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCCC2 703365582 673983451 /nfs/dbraw/zinc/98/34/51/673983451.db2.gz PHORRIYCUGVFHE-VHSXEESVSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCCC2 703365579 673983551 /nfs/dbraw/zinc/98/35/51/673983551.db2.gz PHORRIYCUGVFHE-UWVGGRQHSA-N 2 1 182.311 1.646 20 0 ADADMP CC(C)=CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 704551611 673985658 /nfs/dbraw/zinc/98/56/58/673985658.db2.gz GVCUCSUYMJNQBS-NEPJUHHUSA-N 2 1 194.322 1.636 20 0 ADADMP CC(C)=CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 704551611 673985660 /nfs/dbraw/zinc/98/56/60/673985660.db2.gz GVCUCSUYMJNQBS-NEPJUHHUSA-N 2 1 194.322 1.636 20 0 ADADMP CC(C)C[C@H](C)C[NH2+][C@@H](C)C[NH3+] 708315590 673990286 /nfs/dbraw/zinc/99/02/86/673990286.db2.gz UOUBSHVCXLSYFV-UWVGGRQHSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C[NH3+] 708871028 673992466 /nfs/dbraw/zinc/99/24/66/673992466.db2.gz NQZBTUXIUOHYLE-KHVQUVQLSA-N 2 1 188.702 1.266 20 0 ADADMP CC(C)C[C@@H](C)C[NH2+][C@@H](C)C[NH3+] 708315591 673991099 /nfs/dbraw/zinc/99/10/99/673991099.db2.gz UOUBSHVCXLSYFV-ZJUUUORDSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C[NH3+] 708871020 673991622 /nfs/dbraw/zinc/99/16/22/673991622.db2.gz NQZBTUXIUOHYLE-BNEREYBLSA-N 2 1 188.702 1.266 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CC1CCC1 710248381 673995904 /nfs/dbraw/zinc/99/59/04/673995904.db2.gz ZWNTTZBVHNNEDE-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CCC1 710248382 673996432 /nfs/dbraw/zinc/99/64/32/673996432.db2.gz ZWNTTZBVHNNEDE-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+]CC1([NH3+])CC1 710303255 673996449 /nfs/dbraw/zinc/99/64/49/673996449.db2.gz LCTRRBZODGSIIW-VIFPVBQESA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H](CC1CCC1)[NH2+]CC1([NH3+])CC1 710303253 673996497 /nfs/dbraw/zinc/99/64/97/673996497.db2.gz LCTRRBZODGSIIW-SECBINFHSA-N 2 1 182.311 1.646 20 0 ADADMP C[N@@H+](CCCF)CCCCCC[NH3+] 710683391 673996810 /nfs/dbraw/zinc/99/68/10/673996810.db2.gz GWOZSBWHZXNXPA-UHFFFAOYSA-N 2 1 190.306 1.797 20 0 ADADMP FC[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 711443005 674000181 /nfs/dbraw/zinc/00/01/81/674000181.db2.gz MSTKQXXGKMBQDT-VHSXEESVSA-N 2 1 186.274 1.030 20 0 ADADMP FC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 711443005 674000182 /nfs/dbraw/zinc/00/01/82/674000182.db2.gz MSTKQXXGKMBQDT-VHSXEESVSA-N 2 1 186.274 1.030 20 0 ADADMP FC[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 711443002 674000584 /nfs/dbraw/zinc/00/05/84/674000584.db2.gz MSTKQXXGKMBQDT-NXEZZACHSA-N 2 1 186.274 1.030 20 0 ADADMP FC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 711443002 674000587 /nfs/dbraw/zinc/00/05/87/674000587.db2.gz MSTKQXXGKMBQDT-NXEZZACHSA-N 2 1 186.274 1.030 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H](CF)C1 711444161 674000831 /nfs/dbraw/zinc/00/08/31/674000831.db2.gz SGCUVSWKKNUZCS-JTQLQIEISA-N 2 1 188.290 1.277 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H](CF)C1 711444162 674000996 /nfs/dbraw/zinc/00/09/96/674000996.db2.gz SGCUVSWKKNUZCS-SNVBAGLBSA-N 2 1 188.290 1.277 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1C=CCC1 711752573 674002628 /nfs/dbraw/zinc/00/26/28/674002628.db2.gz LYWHAGZAEHVJON-QJPTWQEYSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C=CCC1 711752575 674002785 /nfs/dbraw/zinc/00/27/85/674002785.db2.gz LYWHAGZAEHVJON-SRVKXCTJSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1C=CCC1 711752577 674002934 /nfs/dbraw/zinc/00/29/34/674002934.db2.gz LYWHAGZAEHVJON-TUAOUCFPSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C=CCC1 711752574 674002937 /nfs/dbraw/zinc/00/29/37/674002937.db2.gz LYWHAGZAEHVJON-SDDRHHMPSA-N 2 1 194.322 1.683 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@@H]2C=CCC2)CC1 711780315 674003897 /nfs/dbraw/zinc/00/38/97/674003897.db2.gz YBHURAUIHISJHV-LLVKDONJSA-N 2 1 194.322 1.636 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@H]2C=CCC2)CC1 711780316 674004024 /nfs/dbraw/zinc/00/40/24/674004024.db2.gz YBHURAUIHISJHV-NSHDSACASA-N 2 1 194.322 1.636 20 0 ADADMP C[N@H+](CC[NH3+])CC[C@@H]1C[C@H]1C1CC1 711986117 674004646 /nfs/dbraw/zinc/00/46/46/674004646.db2.gz FDACEJADVUQEQI-MNOVXSKESA-N 2 1 182.311 1.313 20 0 ADADMP C[N@@H+](CC[NH3+])CC[C@@H]1C[C@H]1C1CC1 711986117 674004647 /nfs/dbraw/zinc/00/46/47/674004647.db2.gz FDACEJADVUQEQI-MNOVXSKESA-N 2 1 182.311 1.313 20 0 ADADMP CCC[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 723883758 674006032 /nfs/dbraw/zinc/00/60/32/674006032.db2.gz QJSKNCQYJJIGRT-NXEZZACHSA-N 2 1 170.300 1.313 20 0 ADADMP C=C/C=C\CC[N@H+](C)CC[NH3+] 713719263 674016418 /nfs/dbraw/zinc/01/64/18/674016418.db2.gz KDAWTJWMUGUDGI-PLNGDYQASA-N 2 1 154.257 1.009 20 0 ADADMP C=C/C=C\CC[N@@H+](C)CC[NH3+] 713719263 674016419 /nfs/dbraw/zinc/01/64/19/674016419.db2.gz KDAWTJWMUGUDGI-PLNGDYQASA-N 2 1 154.257 1.009 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[NH2+]CC1 713701496 674014662 /nfs/dbraw/zinc/01/46/62/674014662.db2.gz IQXOQJJYSWZXKS-ARJAWSKDSA-N 2 1 180.295 1.414 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@@H](CC[NH3+])C1 713656498 674014680 /nfs/dbraw/zinc/01/46/80/674014680.db2.gz CFYYGFBETFZWMZ-AAOUONPWSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C/CC[NH2+]C1CC[NH+](C)CC1 713735186 674015828 /nfs/dbraw/zinc/01/58/28/674015828.db2.gz NBSIATBQSUIDGZ-SNAWJCMRSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 713718963 674016058 /nfs/dbraw/zinc/01/60/58/674016058.db2.gz WHWSUTALMHBAGU-ROUHBEFFSA-N 2 1 192.306 1.270 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 713756534 674016061 /nfs/dbraw/zinc/01/60/61/674016061.db2.gz ASYGGSDHUBOPLU-BKGLOODYSA-N 2 1 192.306 1.412 20 0 ADADMP C=C/C=C\CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 713756534 674016062 /nfs/dbraw/zinc/01/60/62/674016062.db2.gz ASYGGSDHUBOPLU-BKGLOODYSA-N 2 1 192.306 1.412 20 0 ADADMP C=C/C=C\CC[N@H+](C)C1CC([NH3+])C1 713747238 674016064 /nfs/dbraw/zinc/01/60/64/674016064.db2.gz HELJNXNNKOBSMF-PLNGDYQASA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@@H+](C)C[C@@H](C)[NH3+] 713716837 674016462 /nfs/dbraw/zinc/01/64/62/674016462.db2.gz LRIYRBOEXBIKLR-BRAIEQGRSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C/CC[N@H+](C)C[C@@H](C)[NH3+] 713716837 674016463 /nfs/dbraw/zinc/01/64/63/674016463.db2.gz LRIYRBOEXBIKLR-BRAIEQGRSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C\CC[N@H+](C)C1CC[NH2+]CC1 713719448 674016477 /nfs/dbraw/zinc/01/64/77/674016477.db2.gz ZAZJSWHZPYCFAG-PLNGDYQASA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C\CC[NH2+]C1CC[NH+](C)CC1 713735184 674016482 /nfs/dbraw/zinc/01/64/82/674016482.db2.gz NBSIATBQSUIDGZ-PLNGDYQASA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@H+](C)C1CC([NH3+])C1 713747240 674016485 /nfs/dbraw/zinc/01/64/85/674016485.db2.gz HELJNXNNKOBSMF-SNAWJCMRSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 713756535 674016510 /nfs/dbraw/zinc/01/65/10/674016510.db2.gz ASYGGSDHUBOPLU-LXYZTQFVSA-N 2 1 192.306 1.412 20 0 ADADMP C=C/C=C/CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 713756535 674016511 /nfs/dbraw/zinc/01/65/11/674016511.db2.gz ASYGGSDHUBOPLU-LXYZTQFVSA-N 2 1 192.306 1.412 20 0 ADADMP C=C/C=C\CC[N@H+]1C[C@H]([NH3+])C[C@H]1C 713643308 674013924 /nfs/dbraw/zinc/01/39/24/674013924.db2.gz OGPHWQSWWVPABJ-WQMVXFAESA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C\CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 713643308 674013925 /nfs/dbraw/zinc/01/39/25/674013925.db2.gz OGPHWQSWWVPABJ-WQMVXFAESA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@H+]1C[C@H]([NH3+])C[C@H]1C 713643310 674014206 /nfs/dbraw/zinc/01/42/06/674014206.db2.gz OGPHWQSWWVPABJ-XKFHPXPTSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 713643310 674014210 /nfs/dbraw/zinc/01/42/10/674014210.db2.gz OGPHWQSWWVPABJ-XKFHPXPTSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 713643297 674014373 /nfs/dbraw/zinc/01/43/73/674014373.db2.gz OGPHWQSWWVPABJ-BXXZLRJFSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 713643297 674014374 /nfs/dbraw/zinc/01/43/74/674014374.db2.gz OGPHWQSWWVPABJ-BXXZLRJFSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C\CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 713643305 674014409 /nfs/dbraw/zinc/01/44/09/674014409.db2.gz OGPHWQSWWVPABJ-NRFYAWERSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C\CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 713643305 674014410 /nfs/dbraw/zinc/01/44/10/674014410.db2.gz OGPHWQSWWVPABJ-NRFYAWERSA-N 2 1 180.295 1.540 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[C@@H]([NH3+])C1 713700960 674014630 /nfs/dbraw/zinc/01/46/30/674014630.db2.gz FAJMOJGLJZBFEK-PGLGOXFNSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@@H]([NH3+])C1 713700960 674014631 /nfs/dbraw/zinc/01/46/31/674014631.db2.gz FAJMOJGLJZBFEK-PGLGOXFNSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H](CC[NH3+])C1 713656504 674014671 /nfs/dbraw/zinc/01/46/71/674014671.db2.gz CFYYGFBETFZWMZ-PCAWENJQSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[C@H]([NH3+])C1 713700957 674014709 /nfs/dbraw/zinc/01/47/09/674014709.db2.gz FAJMOJGLJZBFEK-BYCRGOAPSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@H]([NH3+])C1 713700957 674014711 /nfs/dbraw/zinc/01/47/11/674014711.db2.gz FAJMOJGLJZBFEK-BYCRGOAPSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H](CC[NH3+])C1 713656501 674014741 /nfs/dbraw/zinc/01/47/41/674014741.db2.gz CFYYGFBETFZWMZ-MVZIDQBPSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 713702593 674014867 /nfs/dbraw/zinc/01/48/67/674014867.db2.gz OPXKHNMFYKYLJW-DFPOMNKCSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[NH2+]CC1 713701498 674014932 /nfs/dbraw/zinc/01/49/32/674014932.db2.gz IQXOQJJYSWZXKS-ONEGZZNKSA-N 2 1 180.295 1.414 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[C@@H]([NH3+])C1 713700959 674015016 /nfs/dbraw/zinc/01/50/16/674015016.db2.gz FAJMOJGLJZBFEK-DLRQAJBASA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@@H]([NH3+])C1 713700959 674015019 /nfs/dbraw/zinc/01/50/19/674015019.db2.gz FAJMOJGLJZBFEK-DLRQAJBASA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 713702597 674015079 /nfs/dbraw/zinc/01/50/79/674015079.db2.gz OPXKHNMFYKYLJW-RVAOTSRCSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C\CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 713702595 674015120 /nfs/dbraw/zinc/01/51/20/674015120.db2.gz OPXKHNMFYKYLJW-JYYSYOFASA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C/CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 713702598 674015225 /nfs/dbraw/zinc/01/52/25/674015225.db2.gz OPXKHNMFYKYLJW-XMXMHJJKSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[C@H]([NH3+])C1 713700962 674015474 /nfs/dbraw/zinc/01/54/74/674015474.db2.gz FAJMOJGLJZBFEK-UFFNRZRYSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@H]([NH3+])C1 713700962 674015476 /nfs/dbraw/zinc/01/54/76/674015476.db2.gz FAJMOJGLJZBFEK-UFFNRZRYSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@H+](C)C1CC[NH2+]CC1 713719449 674015612 /nfs/dbraw/zinc/01/56/12/674015612.db2.gz ZAZJSWHZPYCFAG-SNAWJCMRSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 713717852 674015641 /nfs/dbraw/zinc/01/56/41/674015641.db2.gz RIBWDRSEOCVMPE-XMXMHJJKSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C\CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 713718969 674015688 /nfs/dbraw/zinc/01/56/88/674015688.db2.gz WHWSUTALMHBAGU-XVGAQQEPSA-N 2 1 192.306 1.270 20 0 ADADMP C=C/C=C/CC[N@@H+](C)CCC[NH3+] 713716949 674015767 /nfs/dbraw/zinc/01/57/67/674015767.db2.gz MZJCXLVXRPWACM-SNAWJCMRSA-N 2 1 168.284 1.399 20 0 ADADMP C=C/C=C\CC[N@@H+](C)CCC[NH3+] 713716948 674015894 /nfs/dbraw/zinc/01/58/94/674015894.db2.gz MZJCXLVXRPWACM-PLNGDYQASA-N 2 1 168.284 1.399 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 713717849 674015941 /nfs/dbraw/zinc/01/59/41/674015941.db2.gz RIBWDRSEOCVMPE-RVAOTSRCSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C\CC[N@@H+](C)C[C@H](C)[NH3+] 713716838 674015992 /nfs/dbraw/zinc/01/59/92/674015992.db2.gz LRIYRBOEXBIKLR-OMMCCPJFSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C\CC[N@H+](C)C[C@H](C)[NH3+] 713716838 674015993 /nfs/dbraw/zinc/01/59/93/674015993.db2.gz LRIYRBOEXBIKLR-OMMCCPJFSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 713717524 674016054 /nfs/dbraw/zinc/01/60/54/674016054.db2.gz PKEUPXGVMTYCLR-JYYSYOFASA-N 2 1 194.322 1.930 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@](C)(C[NH3+])C1 713717350 674016079 /nfs/dbraw/zinc/01/60/79/674016079.db2.gz NVFFYPLUVLNXOB-ZYOFXKKJSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 713717526 674016084 /nfs/dbraw/zinc/01/60/84/674016084.db2.gz PKEUPXGVMTYCLR-XMXMHJJKSA-N 2 1 194.322 1.930 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C 713717525 674016154 /nfs/dbraw/zinc/01/61/54/674016154.db2.gz PKEUPXGVMTYCLR-RVAOTSRCSA-N 2 1 194.322 1.930 20 0 ADADMP C=C/C=C\CC[N@@H+](C)C[C@@H](C)[NH3+] 713716840 674016181 /nfs/dbraw/zinc/01/61/81/674016181.db2.gz LRIYRBOEXBIKLR-WWQCOOJYSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C\CC[N@H+](C)C[C@@H](C)[NH3+] 713716840 674016182 /nfs/dbraw/zinc/01/61/82/674016182.db2.gz LRIYRBOEXBIKLR-WWQCOOJYSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C/CC[N@H+](C)CC[NH3+] 713719264 674016230 /nfs/dbraw/zinc/01/62/30/674016230.db2.gz KDAWTJWMUGUDGI-SNAWJCMRSA-N 2 1 154.257 1.009 20 0 ADADMP C=C/C=C/CC[N@@H+](C)CC[NH3+] 713719264 674016234 /nfs/dbraw/zinc/01/62/34/674016234.db2.gz KDAWTJWMUGUDGI-SNAWJCMRSA-N 2 1 154.257 1.009 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@](C)(C[NH3+])C1 713717346 674016242 /nfs/dbraw/zinc/01/62/42/674016242.db2.gz NVFFYPLUVLNXOB-QMAVJUDZSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C/CC[N@@H+](C)C[C@H](C)[NH3+] 713716839 674016258 /nfs/dbraw/zinc/01/62/58/674016258.db2.gz LRIYRBOEXBIKLR-PORFMDCZSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C/CC[N@H+](C)C[C@H](C)[NH3+] 713716839 674016262 /nfs/dbraw/zinc/01/62/62/674016262.db2.gz LRIYRBOEXBIKLR-PORFMDCZSA-N 2 1 168.284 1.398 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 713717844 674016288 /nfs/dbraw/zinc/01/62/88/674016288.db2.gz RIBWDRSEOCVMPE-DFPOMNKCSA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 713717348 674016328 /nfs/dbraw/zinc/01/63/28/674016328.db2.gz NVFFYPLUVLNXOB-RXNFCKPNSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 713717847 674016343 /nfs/dbraw/zinc/01/63/43/674016343.db2.gz RIBWDRSEOCVMPE-JYYSYOFASA-N 2 1 194.322 1.788 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@@](C)(C[NH3+])C1 713717345 674016362 /nfs/dbraw/zinc/01/63/62/674016362.db2.gz NVFFYPLUVLNXOB-ITKZLYELSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C 713717523 674016406 /nfs/dbraw/zinc/01/64/06/674016406.db2.gz PKEUPXGVMTYCLR-DFPOMNKCSA-N 2 1 194.322 1.930 20 0 ADADMP C=C/C=C\CC[N@@H+](C)CCOCC[NH3+] 713756675 674016800 /nfs/dbraw/zinc/01/68/00/674016800.db2.gz WHDZTKUUGKDUKM-PLNGDYQASA-N 2 1 198.310 1.026 20 0 ADADMP C=C/C=C/CC[N@@H+](C)CCOCC[NH3+] 713756676 674016816 /nfs/dbraw/zinc/01/68/16/674016816.db2.gz WHDZTKUUGKDUKM-SNAWJCMRSA-N 2 1 198.310 1.026 20 0 ADADMP C=C/C=C\CC[N@H+](C)CC(C)(C)[NH3+] 713756940 674017240 /nfs/dbraw/zinc/01/72/40/674017240.db2.gz XCORCPJEAMMJSA-SREVYHEPSA-N 2 1 182.311 1.788 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1C 714404511 674017418 /nfs/dbraw/zinc/01/74/18/674017418.db2.gz LWYLTUGZTVZNHM-VWYCJHECSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCCC[C@H]1C 714404509 674017614 /nfs/dbraw/zinc/01/76/14/674017614.db2.gz LWYLTUGZTVZNHM-OUAUKWLOSA-N 2 1 184.327 1.750 20 0 ADADMP C[N@H+](CCCF)C[C@H]([NH3+])CC(F)F 716754841 674026223 /nfs/dbraw/zinc/02/62/23/674026223.db2.gz XWNPTFXKXFGQLE-SSDOTTSWSA-N 2 1 198.232 1.260 20 0 ADADMP C[N@@H+](CCCF)C[C@H]([NH3+])CC(F)F 716754841 674026224 /nfs/dbraw/zinc/02/62/24/674026224.db2.gz XWNPTFXKXFGQLE-SSDOTTSWSA-N 2 1 198.232 1.260 20 0 ADADMP C[N@@H+](CCCF)CC[C@@H]1CC[NH2+]C1 716791450 674026228 /nfs/dbraw/zinc/02/62/28/674026228.db2.gz SNCIWAFKPIHNKB-JTQLQIEISA-N 2 1 188.290 1.277 20 0 ADADMP C(C[NH2+][C@H]1CCC[NH2+]C1)CC1CC1 156854801 1169258193 /nfs/dbraw/zinc/25/81/93/1169258193.db2.gz WPOTWAVAYPJHAR-NSHDSACASA-N 2 1 182.311 1.518 20 0 ADADMP C(C[NH2+][C@@H]1CCC[NH2+]C1)CC1CC1 156854940 1169259066 /nfs/dbraw/zinc/25/90/66/1169259066.db2.gz WPOTWAVAYPJHAR-LLVKDONJSA-N 2 1 182.311 1.518 20 0 ADADMP C[C@H]1CCC[N@H+]1CCCCCC[NH3+] 37911195 674063467 /nfs/dbraw/zinc/06/34/67/674063467.db2.gz PBLDDRCWYAPJHS-NSHDSACASA-N 2 1 184.327 1.990 20 0 ADADMP C[C@H]1C[C@@H]1C[NH2+]C1(C[NH3+])CCCCC1 167507786 1169285297 /nfs/dbraw/zinc/28/52/97/1169285297.db2.gz AZAOCFZOIVSRNY-WDEREUQCSA-N 2 1 196.338 1.894 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]C1(C[NH3+])CCCCC1 167507897 1169285797 /nfs/dbraw/zinc/28/57/97/1169285797.db2.gz AZAOCFZOIVSRNY-MNOVXSKESA-N 2 1 196.338 1.894 20 0 ADADMP C[C@H]1C[C@H]1C[NH2+]C1(C[NH3+])CCCCC1 167508006 1169285870 /nfs/dbraw/zinc/28/58/70/1169285870.db2.gz AZAOCFZOIVSRNY-QWRGUYRKSA-N 2 1 196.338 1.894 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 167820176 1169286119 /nfs/dbraw/zinc/28/61/19/1169286119.db2.gz KICQNKBOOROUKJ-QWRGUYRKSA-N 2 1 180.295 1.518 20 0 ADADMP [NH3+][C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 167820176 1169286125 /nfs/dbraw/zinc/28/61/25/1169286125.db2.gz KICQNKBOOROUKJ-QWRGUYRKSA-N 2 1 180.295 1.518 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 167820285 1169286889 /nfs/dbraw/zinc/28/68/89/1169286889.db2.gz KICQNKBOOROUKJ-WDEREUQCSA-N 2 1 180.295 1.518 20 0 ADADMP [NH3+][C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 167820285 1169286902 /nfs/dbraw/zinc/28/69/02/1169286902.db2.gz KICQNKBOOROUKJ-WDEREUQCSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]C1(C[NH3+])CCCCC1 167507686 1169287429 /nfs/dbraw/zinc/28/74/29/1169287429.db2.gz AZAOCFZOIVSRNY-GHMZBOCLSA-N 2 1 196.338 1.894 20 0 ADADMP CC[N@@H+](CC(C)C)CC1(C[NH3+])CC1 168754246 1169289096 /nfs/dbraw/zinc/28/90/96/1169289096.db2.gz RJDYYKZGGITQPY-UHFFFAOYSA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)[N@@H+](CC1CC1)CC1(C[NH3+])CC1 168771294 1169290270 /nfs/dbraw/zinc/29/02/70/1169290270.db2.gz AHOBTYQNYPQRLT-UHFFFAOYSA-N 2 1 196.338 1.846 20 0 ADADMP CC[N@@H+](CC1CC1)CC1(C[NH3+])CCC1 168549870 1169292012 /nfs/dbraw/zinc/29/20/12/1169292012.db2.gz AVADHNVUTCTPFO-UHFFFAOYSA-N 2 1 196.338 1.847 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+]CC1([NH3+])CC1 306364610 674072924 /nfs/dbraw/zinc/07/29/24/674072924.db2.gz ANQLPIOIGPUYMV-QMMMGPOBSA-N 2 1 168.284 1.256 20 0 ADADMP Cc1[nH+]ccn1C[C@@H]1C[NH2+]C[C@H]1C 721063315 674075942 /nfs/dbraw/zinc/07/59/42/674075942.db2.gz KKCNKMWPCGVXDX-SCZZXKLOSA-N 2 1 179.267 1.047 20 0 ADADMP CCc1[nH+]ccn1C[C@@H]1C[NH2+]C[C@H]1C 721076195 674077311 /nfs/dbraw/zinc/07/73/11/674077311.db2.gz VVUNXYJSUVOKQN-ZJUUUORDSA-N 2 1 193.294 1.301 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 722625219 674079034 /nfs/dbraw/zinc/07/90/34/674079034.db2.gz FMIQMEIEHQAUOE-MXWKQRLJSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 722625222 674079291 /nfs/dbraw/zinc/07/92/91/674079291.db2.gz FMIQMEIEHQAUOE-VWYCJHECSA-N 2 1 182.311 1.313 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 723073438 674079517 /nfs/dbraw/zinc/07/95/17/674079517.db2.gz LFKYJVUTTBOCNA-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C=C/C=C\CC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 723464576 674079522 /nfs/dbraw/zinc/07/95/22/674079522.db2.gz DDJZQPSGSSNAPG-WQMVXFAESA-N 2 1 180.295 1.398 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](CC[NH3+])C1 722625221 674079528 /nfs/dbraw/zinc/07/95/28/674079528.db2.gz FMIQMEIEHQAUOE-OUAUKWLOSA-N 2 1 182.311 1.313 20 0 ADADMP CC[C@@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723470353 674079603 /nfs/dbraw/zinc/07/96/03/674079603.db2.gz WSOWNBVEOUOQEK-OPRDCNLKSA-N 2 1 170.300 1.312 20 0 ADADMP C=C/C=C/CC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 723464577 674079840 /nfs/dbraw/zinc/07/98/40/674079840.db2.gz DDJZQPSGSSNAPG-XKFHPXPTSA-N 2 1 180.295 1.398 20 0 ADADMP CC[C@@H](C)[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 723462320 674080076 /nfs/dbraw/zinc/08/00/76/674080076.db2.gz FLGJRKYGGOWYHY-IWSPIJDZSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](CC[NH3+])C1 722625217 674080026 /nfs/dbraw/zinc/08/00/26/674080026.db2.gz FMIQMEIEHQAUOE-GMTAPVOTSA-N 2 1 182.311 1.313 20 0 ADADMP CC[N@H+]1CCCC2(CC[NH2+]CC2)C1 211349010 1169327363 /nfs/dbraw/zinc/32/73/63/1169327363.db2.gz ASBUMVWWCLNLER-UHFFFAOYSA-N 2 1 182.311 1.472 20 0 ADADMP CC(C)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 211346697 1169327770 /nfs/dbraw/zinc/32/77/70/1169327770.db2.gz SIUJTVWHYJJTBL-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 211346697 1169327782 /nfs/dbraw/zinc/32/77/82/1169327782.db2.gz SIUJTVWHYJJTBL-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 211348920 1169327957 /nfs/dbraw/zinc/32/79/57/1169327957.db2.gz IEOKLCGQMUUUQT-UHFFFAOYSA-N 2 1 196.338 1.862 20 0 ADADMP C1C[NH2+][C@@]2(C1)CC[N@@H+](CC1CC1)C2 211346796 1169328113 /nfs/dbraw/zinc/32/81/13/1169328113.db2.gz ASQJOBHMBFBPFC-NSHDSACASA-N 2 1 180.295 1.224 20 0 ADADMP C1C[NH2+][C@@]2(C1)CC[N@H+](CC1CC1)C2 211346796 1169328120 /nfs/dbraw/zinc/32/81/20/1169328120.db2.gz ASQJOBHMBFBPFC-NSHDSACASA-N 2 1 180.295 1.224 20 0 ADADMP CC(C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 211358061 1169329007 /nfs/dbraw/zinc/32/90/07/1169329007.db2.gz IIONAQNAARAGJF-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 230406803 1169397629 /nfs/dbraw/zinc/39/76/29/1169397629.db2.gz TVYNNWMJIVJPIU-GRYCIOLGSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 230406797 1169398294 /nfs/dbraw/zinc/39/82/94/1169398294.db2.gz TVYNNWMJIVJPIU-IJLUTSLNSA-N 2 1 196.338 1.764 20 0 ADADMP CCC1CCC([NH2+][C@@H](C)C[NH3+])CC1 232899704 1169408979 /nfs/dbraw/zinc/40/89/79/1169408979.db2.gz FLITXJSHEHGYFS-WHXUTIOJSA-N 2 1 184.327 1.892 20 0 ADADMP CCC(C)(C)[N@@H+](C)C[C@@H]1C[NH2+]C[C@H]1C 232825588 1169409086 /nfs/dbraw/zinc/40/90/86/1169409086.db2.gz HHMWDUKDQZQNIC-MNOVXSKESA-N 2 1 198.354 1.962 20 0 ADADMP CC1CCC([NH2+][C@@H](C)C[NH3+])CC1 232822502 1169410023 /nfs/dbraw/zinc/41/00/23/1169410023.db2.gz FFAMEGXXIOWDFS-KYHHOPLUSA-N 2 1 170.300 1.502 20 0 ADADMP CC[N@H+](CCN)C[C@@](C)(CC)OC 233453322 1169412032 /nfs/dbraw/zinc/41/20/32/1169412032.db2.gz GNVDLZQQVRCDKE-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@@H+](CCN)C[C@@](C)(CC)OC 233453322 1169412036 /nfs/dbraw/zinc/41/20/36/1169412036.db2.gz GNVDLZQQVRCDKE-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@H+](CC[NH3+])C[C@@](C)(CC)OC 233453322 1169412043 /nfs/dbraw/zinc/41/20/43/1169412043.db2.gz GNVDLZQQVRCDKE-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@@H+](CC[NH3+])C[C@@](C)(CC)OC 233453322 1169412047 /nfs/dbraw/zinc/41/20/47/1169412047.db2.gz GNVDLZQQVRCDKE-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@H+](CCN)C[C@](C)(CC)OC 233453597 1169413370 /nfs/dbraw/zinc/41/33/70/1169413370.db2.gz GNVDLZQQVRCDKE-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@@H+](CCN)C[C@](C)(CC)OC 233453597 1169413372 /nfs/dbraw/zinc/41/33/72/1169413372.db2.gz GNVDLZQQVRCDKE-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@H+](CC[NH3+])C[C@](C)(CC)OC 233453597 1169413374 /nfs/dbraw/zinc/41/33/74/1169413374.db2.gz GNVDLZQQVRCDKE-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@@H+](CC[NH3+])C[C@](C)(CC)OC 233453597 1169413377 /nfs/dbraw/zinc/41/33/77/1169413377.db2.gz GNVDLZQQVRCDKE-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP C[N@H+](C1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 253180316 1169436506 /nfs/dbraw/zinc/43/65/06/1169436506.db2.gz DEMRIXFBYNNMRI-URLYPYJESA-N 2 1 180.295 1.079 20 0 ADADMP C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 300243562 1169458848 /nfs/dbraw/zinc/45/88/48/1169458848.db2.gz TVYNNWMJIVJPIU-WOPDTQHZSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 300243561 1169459867 /nfs/dbraw/zinc/45/98/67/1169459867.db2.gz TVYNNWMJIVJPIU-UTUOFQBUSA-N 2 1 196.338 1.764 20 0 ADADMP C1CC(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)C1 306208867 1169466592 /nfs/dbraw/zinc/46/65/92/1169466592.db2.gz RXERBJQGHSUJLY-NEPJUHHUSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)[C@@H](C)[C@@H]1C 306940306 1169494339 /nfs/dbraw/zinc/49/43/39/1169494339.db2.gz BRHGTNQVHROALN-MXWKQRLJSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)[C@@H](C)[C@H]1C 306940308 1169495024 /nfs/dbraw/zinc/49/50/24/1169495024.db2.gz BRHGTNQVHROALN-VWYCJHECSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)[C@H](C)[C@H]1C 306940307 1169495060 /nfs/dbraw/zinc/49/50/60/1169495060.db2.gz BRHGTNQVHROALN-OUAUKWLOSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)[C@H](C)[C@@H]1C 306940305 1169496026 /nfs/dbraw/zinc/49/60/26/1169496026.db2.gz BRHGTNQVHROALN-GMTAPVOTSA-N 2 1 196.338 1.702 20 0 ADADMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]CC1CC1 379563381 1169585576 /nfs/dbraw/zinc/58/55/76/1169585576.db2.gz AAVMCRRDWNPMTF-VXGBXAGGSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]CC1CC1 379563378 1169585588 /nfs/dbraw/zinc/58/55/88/1169585588.db2.gz AAVMCRRDWNPMTF-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 379563379 1169585849 /nfs/dbraw/zinc/58/58/49/1169585849.db2.gz AAVMCRRDWNPMTF-NWDGAFQWSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]CC1CC1 379563380 1169586445 /nfs/dbraw/zinc/58/64/45/1169586445.db2.gz AAVMCRRDWNPMTF-RYUDHWBXSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)CC[NH2+]CC1=CC[N@@H+](C)CC1 379656710 1169594604 /nfs/dbraw/zinc/59/46/04/1169594604.db2.gz LOVNMSZWDLTOBK-UHFFFAOYSA-N 2 1 196.338 1.884 20 0 ADADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C(C)(C)C 381996217 1169600065 /nfs/dbraw/zinc/60/00/65/1169600065.db2.gz ANTOEZWAMZUOED-MNOVXSKESA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC1(C[NH3+])CC1 384111649 1169604191 /nfs/dbraw/zinc/60/41/91/1169604191.db2.gz ITKYNJRZBFEMON-WDEREUQCSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC1(C[NH3+])CC1 384111648 1169604311 /nfs/dbraw/zinc/60/43/11/1169604311.db2.gz ITKYNJRZBFEMON-QWRGUYRKSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC1(C[NH3+])CC1 384111646 1169604449 /nfs/dbraw/zinc/60/44/49/1169604449.db2.gz ITKYNJRZBFEMON-GHMZBOCLSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]1[C@H](C)CC[N@H+]1CC1(C[NH3+])CC1 384111647 1169605953 /nfs/dbraw/zinc/60/59/53/1169605953.db2.gz ITKYNJRZBFEMON-MNOVXSKESA-N 2 1 196.338 1.846 20 0 ADADMP CC[N@@H+](CCC1CC1)CC1(C[NH3+])CC1 385521936 1169612034 /nfs/dbraw/zinc/61/20/34/1169612034.db2.gz VALFVJYETKIXIW-UHFFFAOYSA-N 2 1 196.338 1.847 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+]C1 387927726 1169619130 /nfs/dbraw/zinc/61/91/30/1169619130.db2.gz URRMGGFXTYWIIW-VWYCJHECSA-N 2 1 182.311 1.374 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+]C1 387927721 1169619903 /nfs/dbraw/zinc/61/99/03/1169619903.db2.gz URRMGGFXTYWIIW-OUAUKWLOSA-N 2 1 182.311 1.374 20 0 ADADMP CCC[N@@H+](CCC1C[NH2+]C1)CC(C)C 389366224 1169638487 /nfs/dbraw/zinc/63/84/87/1169638487.db2.gz VFMPOSCBNOHXIS-UHFFFAOYSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCCC1CC1 394430507 1169650903 /nfs/dbraw/zinc/65/09/03/1169650903.db2.gz DUEKYZBSSVGUQG-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC(CC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399069605 1169669509 /nfs/dbraw/zinc/66/95/09/1169669509.db2.gz LMKWATXLIGOYJP-KOLCDFICSA-N 2 1 184.327 1.905 20 0 ADADMP CC(C)CC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399082659 1169669867 /nfs/dbraw/zinc/66/98/67/1169669867.db2.gz QEMQGIXHNAZLLN-WDEREUQCSA-N 2 1 184.327 1.763 20 0 ADADMP CCC(CC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399069607 1169671301 /nfs/dbraw/zinc/67/13/01/1169671301.db2.gz LMKWATXLIGOYJP-MWLCHTKSSA-N 2 1 184.327 1.905 20 0 ADADMP CC(C)CC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399082655 1169671503 /nfs/dbraw/zinc/67/15/03/1169671503.db2.gz QEMQGIXHNAZLLN-QWRGUYRKSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)CC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 399082653 1169671518 /nfs/dbraw/zinc/67/15/18/1169671518.db2.gz QEMQGIXHNAZLLN-MNOVXSKESA-N 2 1 184.327 1.763 20 0 ADADMP CCC(CC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 399069603 1169671787 /nfs/dbraw/zinc/67/17/87/1169671787.db2.gz LMKWATXLIGOYJP-GXSJLCMTSA-N 2 1 184.327 1.905 20 0 ADADMP CCC(CC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 399069608 1169672196 /nfs/dbraw/zinc/67/21/96/1169672196.db2.gz LMKWATXLIGOYJP-ONGXEEELSA-N 2 1 184.327 1.905 20 0 ADADMP CC(C)CC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 399082649 1169672310 /nfs/dbraw/zinc/67/23/10/1169672310.db2.gz QEMQGIXHNAZLLN-GHMZBOCLSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCC[NH2+]1 400703140 1169676197 /nfs/dbraw/zinc/67/61/97/1169676197.db2.gz KLQGLRBZDUJBGQ-UCUMCXFZSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCC[NH2+]1 400703138 1169676517 /nfs/dbraw/zinc/67/65/17/1169676517.db2.gz KLQGLRBZDUJBGQ-HWRFCPBPSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@H]([NH2+]C/C=C\C1CC1)[C@H]1CCC[NH2+]1 400703139 1169676685 /nfs/dbraw/zinc/67/66/85/1169676685.db2.gz KLQGLRBZDUJBGQ-TWXVPIPUSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@H]([NH2+]C/C=C/C1CC1)[C@H]1CCC[NH2+]1 400703141 1169677341 /nfs/dbraw/zinc/67/73/41/1169677341.db2.gz KLQGLRBZDUJBGQ-YAQYBTLWSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403619052 1169681853 /nfs/dbraw/zinc/68/18/53/1169681853.db2.gz KOALLDLYSCUMIM-ZDCRXTMVSA-N 2 1 182.311 1.359 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403619054 1169681965 /nfs/dbraw/zinc/68/19/65/1169681965.db2.gz KOALLDLYSCUMIM-ZRUFSTJUSA-N 2 1 182.311 1.359 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 403619048 1169681992 /nfs/dbraw/zinc/68/19/92/1169681992.db2.gz KOALLDLYSCUMIM-DBIOUOCHSA-N 2 1 182.311 1.359 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 403619047 1169682018 /nfs/dbraw/zinc/68/20/18/1169682018.db2.gz KOALLDLYSCUMIM-CHWFTXMASA-N 2 1 182.311 1.359 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CF)C1 711442615 1169729291 /nfs/dbraw/zinc/72/92/91/1169729291.db2.gz KFELMPDMOGAVCR-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CF)C1 711442615 1169729300 /nfs/dbraw/zinc/72/93/00/1169729300.db2.gz KFELMPDMOGAVCR-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CF)C1 711442617 1169730364 /nfs/dbraw/zinc/73/03/64/1169730364.db2.gz KFELMPDMOGAVCR-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H](CF)C1 711442617 1169730369 /nfs/dbraw/zinc/73/03/69/1169730369.db2.gz KFELMPDMOGAVCR-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CF)C1 711442620 1169730673 /nfs/dbraw/zinc/73/06/73/1169730673.db2.gz KFELMPDMOGAVCR-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CF)C1 711442620 1169730681 /nfs/dbraw/zinc/73/06/81/1169730681.db2.gz KFELMPDMOGAVCR-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CF)C1 711442619 1169731112 /nfs/dbraw/zinc/73/11/12/1169731112.db2.gz KFELMPDMOGAVCR-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CF)C1 711442619 1169731119 /nfs/dbraw/zinc/73/11/19/1169731119.db2.gz KFELMPDMOGAVCR-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP CC1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 1254228285 1169860617 /nfs/dbraw/zinc/86/06/17/1169860617.db2.gz HZZMANZCCUSSOR-MNOVXSKESA-N 2 1 194.322 1.755 20 0 ADADMP CC1([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 1254228286 1169861443 /nfs/dbraw/zinc/86/14/43/1169861443.db2.gz HZZMANZCCUSSOR-QWRGUYRKSA-N 2 1 194.322 1.755 20 0 ADADMP CC1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 1254228288 1169861811 /nfs/dbraw/zinc/86/18/11/1169861811.db2.gz HZZMANZCCUSSOR-WDEREUQCSA-N 2 1 194.322 1.755 20 0 ADADMP CC1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 1254228265 1169862488 /nfs/dbraw/zinc/86/24/88/1169862488.db2.gz HZZMANZCCUSSOR-GHMZBOCLSA-N 2 1 194.322 1.755 20 0 ADADMP CC(C)(C[NH3+])[NH2+]C1CCSCC1 1255080202 1169901848 /nfs/dbraw/zinc/90/18/48/1169901848.db2.gz FTGBIVQAUFOSMG-UHFFFAOYSA-N 2 1 188.340 1.209 20 0 ADADMP CCCC[C@H](C)[NH2+]C(C)(C)C[NH3+] 1255310565 1169917820 /nfs/dbraw/zinc/91/78/20/1169917820.db2.gz YIFDIVFIQPOTMS-VIFPVBQESA-N 2 1 172.316 1.892 20 0 ADADMP CCCC[C@@H](C)[NH2+]C(C)(C)C[NH3+] 1255310564 1169919573 /nfs/dbraw/zinc/91/95/73/1169919573.db2.gz YIFDIVFIQPOTMS-SECBINFHSA-N 2 1 172.316 1.892 20 0 ADADMP CC1([NH2+]C2CC[NH+](C3CC3)CC2)CC1 1256065977 1169961077 /nfs/dbraw/zinc/96/10/77/1169961077.db2.gz LRFQAZLEZIQUBS-UHFFFAOYSA-N 2 1 194.322 1.755 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1[NH3+] 157895395 566269560 /nfs/dbraw/zinc/26/95/60/566269560.db2.gz OSTYIDDEJUWLPX-NEPJUHHUSA-N 2 1 196.338 1.846 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 157893634 566270625 /nfs/dbraw/zinc/27/06/25/566270625.db2.gz OUVJYMWCEHKUPE-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 157893479 566270713 /nfs/dbraw/zinc/27/07/13/566270713.db2.gz OUVJYMWCEHKUPE-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC[NH3+])CC1(C)C 334833836 566301585 /nfs/dbraw/zinc/30/15/85/566301585.db2.gz TVEAKLAOYHVZCC-SNVBAGLBSA-N 2 1 184.327 1.703 20 0 ADADMP C[C@H]([NH2+]C1(C)CC1)[C@@H]1CCC[NH2+]1 1325715365 1170232725 /nfs/dbraw/zinc/23/27/25/1170232725.db2.gz BSLPAGIIIHAJLK-IUCAKERBSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@@H]([NH2+]C1(C)CC1)[C@@H]1CCC[NH2+]1 1325715364 1170233150 /nfs/dbraw/zinc/23/31/50/1170233150.db2.gz BSLPAGIIIHAJLK-BDAKNGLRSA-N 2 1 168.284 1.269 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccsc1 1327415265 1170249565 /nfs/dbraw/zinc/24/95/65/1170249565.db2.gz JKPJIKXAGHBIAU-VIFPVBQESA-N 2 1 198.335 1.836 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+]Cc1ccsc1 1327415264 1170250409 /nfs/dbraw/zinc/25/04/09/1170250409.db2.gz JKPJIKXAGHBIAU-SECBINFHSA-N 2 1 198.335 1.836 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccco1 1331834983 1170294723 /nfs/dbraw/zinc/29/47/23/1170294723.db2.gz OBDDTPMAANVRLW-NXEZZACHSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccco1 1331834988 1170294778 /nfs/dbraw/zinc/29/47/78/1170294778.db2.gz OBDDTPMAANVRLW-ZJUUUORDSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccco1 1331834985 1170296593 /nfs/dbraw/zinc/29/65/93/1170296593.db2.gz OBDDTPMAANVRLW-UWVGGRQHSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccco1 1331834986 1170296602 /nfs/dbraw/zinc/29/66/02/1170296602.db2.gz OBDDTPMAANVRLW-VHSXEESVSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccoc1 1345483578 1170471901 /nfs/dbraw/zinc/47/19/01/1170471901.db2.gz SWCQFKNKQKMECB-NXEZZACHSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccoc1 1345483581 1170471956 /nfs/dbraw/zinc/47/19/56/1170471956.db2.gz SWCQFKNKQKMECB-UWVGGRQHSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccoc1 1345483585 1170472106 /nfs/dbraw/zinc/47/21/06/1170472106.db2.gz SWCQFKNKQKMECB-ZJUUUORDSA-N 2 1 196.294 1.928 20 0 ADADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccco1 1345482476 1170472257 /nfs/dbraw/zinc/47/22/57/1170472257.db2.gz MXZUWLLNRLEION-UWVGGRQHSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccco1 1345482478 1170472292 /nfs/dbraw/zinc/47/22/92/1170472292.db2.gz MXZUWLLNRLEION-VHSXEESVSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccco1 1345482479 1170472607 /nfs/dbraw/zinc/47/26/07/1170472607.db2.gz MXZUWLLNRLEION-ZJUUUORDSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccco1 1345482474 1170473118 /nfs/dbraw/zinc/47/31/18/1170473118.db2.gz MXZUWLLNRLEION-NXEZZACHSA-N 2 1 196.294 1.786 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccoc1 1345483584 1170473127 /nfs/dbraw/zinc/47/31/27/1170473127.db2.gz SWCQFKNKQKMECB-VHSXEESVSA-N 2 1 196.294 1.928 20 0 ADADMP C[C@@H]([NH2+]C/C=C/C1CC1)[C@@H]1CCC[NH2+]1 1348852323 1170506642 /nfs/dbraw/zinc/50/66/42/1170506642.db2.gz KLQGLRBZDUJBGQ-WKLDVVIOSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]([NH2+]C/C=C\C1CC1)[C@@H]1CCC[NH2+]1 1348852346 1170505480 /nfs/dbraw/zinc/50/54/80/1170505480.db2.gz KLQGLRBZDUJBGQ-ZVIBEBPTSA-N 2 1 194.322 1.683 20 0 ADADMP CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 1356049684 1170555717 /nfs/dbraw/zinc/55/57/17/1170555717.db2.gz LYJHJLVBSHJRLP-QPGSTUFLSA-N 2 1 180.295 1.267 20 0 ADADMP CCCC[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1473788397 1170597837 /nfs/dbraw/zinc/59/78/37/1170597837.db2.gz LBPTYZUYQMLEST-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1473788397 1170597839 /nfs/dbraw/zinc/59/78/39/1170597839.db2.gz LBPTYZUYQMLEST-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1473788397 1170597840 /nfs/dbraw/zinc/59/78/40/1170597840.db2.gz LBPTYZUYQMLEST-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1473788397 1170597842 /nfs/dbraw/zinc/59/78/42/1170597842.db2.gz LBPTYZUYQMLEST-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 1573525983 1170675056 /nfs/dbraw/zinc/67/50/56/1170675056.db2.gz IMHCJOLBNINHSP-GARJFASQSA-N 2 1 182.311 1.373 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2[C@H]3CCC[C@H]32)C1 1573308488 1170675684 /nfs/dbraw/zinc/67/56/84/1170675684.db2.gz XPRAQSUJTVHUKD-UKKRHICBSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2[C@H]3CCC[C@H]32)C1 1573308489 1170676040 /nfs/dbraw/zinc/67/60/40/1170676040.db2.gz XPRAQSUJTVHUKD-ZNSHCXBVSA-N 2 1 180.295 1.127 20 0 ADADMP CC(C)[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 1573525984 1170676252 /nfs/dbraw/zinc/67/62/52/1170676252.db2.gz IMHCJOLBNINHSP-OUAUKWLOSA-N 2 1 182.311 1.373 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2[C@H]3CCC[C@H]32)C1 1573308487 1170676305 /nfs/dbraw/zinc/67/63/05/1170676305.db2.gz XPRAQSUJTVHUKD-MMWGEVLESA-N 2 1 180.295 1.127 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@H]2[C@H]3CCC[C@H]32)C1 1573308486 1170677441 /nfs/dbraw/zinc/67/74/41/1170677441.db2.gz XPRAQSUJTVHUKD-CHWFTXMASA-N 2 1 180.295 1.127 20 0 ADADMP C(=C\C1CC1)\C[NH2+]CC12CC(C[NH2+]1)C2 1574766477 1170681819 /nfs/dbraw/zinc/68/18/19/1170681819.db2.gz QIDBHNPLNHHLFW-UPHRSURJSA-N 2 1 192.306 1.294 20 0 ADADMP C1CC2(C1)C[NH+](C[C@]13C[NH2+]C[C@H]1C3)C2 1574795764 1170681851 /nfs/dbraw/zinc/68/18/51/1170681851.db2.gz PPNJBIPWZDSFAO-PWSUYJOCSA-N 2 1 192.306 1.082 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+]C[C@@]23CCC[C@@H]2C3)C1 1574799088 1170682291 /nfs/dbraw/zinc/68/22/91/1170682291.db2.gz COWDDKJITBLCJF-WOPDTQHZSA-N 2 1 194.322 1.518 20 0 ADADMP C1C[NH2+]C[C@@]2(C1)CC[N@H+]2CCC1CC1 1574801459 1170682392 /nfs/dbraw/zinc/68/23/92/1170682392.db2.gz PUCXNIGWZDMFEE-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP C1C[NH2+]C[C@@]2(C1)CC[N@@H+]2CCC1CC1 1574801459 1170682394 /nfs/dbraw/zinc/68/23/94/1170682394.db2.gz PUCXNIGWZDMFEE-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP [NH3+]CC[NH2+]C1CCC(=C2CCC2)CC1 1574280430 1170682544 /nfs/dbraw/zinc/68/25/44/1170682544.db2.gz VQRJIDLVQXVKHY-UHFFFAOYSA-N 2 1 194.322 1.958 20 0 ADADMP C(=C/C1CC1)\C[NH2+]CC12CC(C[NH2+]1)C2 1574766471 1170683352 /nfs/dbraw/zinc/68/33/52/1170683352.db2.gz QIDBHNPLNHHLFW-OWOJBTEDSA-N 2 1 192.306 1.294 20 0 ADADMP C1C[NH2+]C[C@]2(C1)CC[N@H+]2CCC1CC1 1574801460 1170683416 /nfs/dbraw/zinc/68/34/16/1170683416.db2.gz PUCXNIGWZDMFEE-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP C1C[NH2+]C[C@]2(C1)CC[N@@H+]2CCC1CC1 1574801460 1170683418 /nfs/dbraw/zinc/68/34/18/1170683418.db2.gz PUCXNIGWZDMFEE-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP C1CC2(C1)C[NH+](C[C@@]13C[NH2+]C[C@@H]1C3)C2 1574795760 1170683924 /nfs/dbraw/zinc/68/39/24/1170683924.db2.gz PPNJBIPWZDSFAO-CMPLNLGQSA-N 2 1 192.306 1.082 20 0 ADADMP C1C[C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C3)[C@H]2C1 1574816254 1170684673 /nfs/dbraw/zinc/68/46/73/1170684673.db2.gz BQORQEPUNAWHLR-VLEAKVRGSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C3)[C@H]2C1 1574816252 1170685608 /nfs/dbraw/zinc/68/56/08/1170685608.db2.gz BQORQEPUNAWHLR-NAKRPEOUSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C3)[C@H]2C1 1574816256 1170685638 /nfs/dbraw/zinc/68/56/38/1170685638.db2.gz BQORQEPUNAWHLR-XWLWVQCSSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@H]2C[C@@H]([NH2+][C@@H]3CC[NH2+]C3)[C@H]2C1 1574816257 1170686058 /nfs/dbraw/zinc/68/60/58/1170686058.db2.gz BQORQEPUNAWHLR-ZRUFSTJUSA-N 2 1 180.295 1.127 20 0 ADADMP CC(C)(C)[NH2+]CC[NH2+][C@H]1[C@H]2CCC[C@H]21 1575150129 1170687732 /nfs/dbraw/zinc/68/77/32/1170687732.db2.gz OKONHWYJNQPIHU-JGPRNRPPSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)=CC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1575391565 1170687781 /nfs/dbraw/zinc/68/77/81/1170687781.db2.gz OFIJMIPZZAFFPJ-NEPJUHHUSA-N 2 1 194.322 1.494 20 0 ADADMP CC(C)(C)[NH2+]CC[NH2+][C@@H]1[C@H]2CCC[C@H]21 1575150130 1170688140 /nfs/dbraw/zinc/68/81/40/1170688140.db2.gz OKONHWYJNQPIHU-URLYPYJESA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)CC[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1575572205 1170688349 /nfs/dbraw/zinc/68/83/49/1170688349.db2.gz GDIYCKXRZYKBPL-URLYPYJESA-N 2 1 182.311 1.182 20 0 ADADMP CC(C)(C[NH3+])[NH2+]C1CC(C(F)F)C1 1575318461 1170689066 /nfs/dbraw/zinc/68/90/66/1170689066.db2.gz UGCLUIPNCMATAQ-UHFFFAOYSA-N 2 1 192.253 1.357 20 0 ADADMP C[C@H]([NH2+]C1CC2(C1)C[C@@H]2[NH3+])C(F)F 1576239498 1170695886 /nfs/dbraw/zinc/69/58/86/1170695886.db2.gz OMZUQEYGLXLBAT-MACCYVAKSA-N 2 1 190.237 1.109 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 1576249758 1170696065 /nfs/dbraw/zinc/69/60/65/1170696065.db2.gz AJLUNNOPQUOCIF-HZQMYPQZSA-N 2 1 182.311 1.358 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 1576249762 1170696176 /nfs/dbraw/zinc/69/61/76/1170696176.db2.gz AJLUNNOPQUOCIF-OEIWMXHLSA-N 2 1 182.311 1.358 20 0 ADADMP C[C@H]([NH2+]C1CC2(C1)C[C@H]2[NH3+])C(F)F 1576239500 1170696214 /nfs/dbraw/zinc/69/62/14/1170696214.db2.gz OMZUQEYGLXLBAT-MWHLNWJDSA-N 2 1 190.237 1.109 20 0 ADADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])C1)c1ccccn1 1576253282 1170696604 /nfs/dbraw/zinc/69/66/04/1170696604.db2.gz XSCFGRKZUYMNQH-OPRDCNLKSA-N 2 1 191.278 1.222 20 0 ADADMP C[C@@H]([NH2+]C1CC2(C1)C[C@H]2[NH3+])C(F)F 1576239496 1170696747 /nfs/dbraw/zinc/69/67/47/1170696747.db2.gz OMZUQEYGLXLBAT-DOBFWROPSA-N 2 1 190.237 1.109 20 0 ADADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1)c1ccccn1 1576253281 1170697657 /nfs/dbraw/zinc/69/76/57/1170697657.db2.gz XSCFGRKZUYMNQH-LPEHRKFASA-N 2 1 191.278 1.222 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 1576249771 1170697722 /nfs/dbraw/zinc/69/77/22/1170697722.db2.gz AJLUNNOPQUOCIF-UUTMEEIUSA-N 2 1 182.311 1.358 20 0 ADADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1)c1ccccn1 1576253280 1170697741 /nfs/dbraw/zinc/69/77/41/1170697741.db2.gz XSCFGRKZUYMNQH-GUBZILKMSA-N 2 1 191.278 1.222 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])[C@@H]1C[C@H]1C1CC1 1576249760 1170697751 /nfs/dbraw/zinc/69/77/51/1170697751.db2.gz AJLUNNOPQUOCIF-IFFSRLJSSA-N 2 1 182.311 1.358 20 0 ADADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])C1)c1ccccn1 1576253279 1170698193 /nfs/dbraw/zinc/69/81/93/1170698193.db2.gz XSCFGRKZUYMNQH-BBBLOLIVSA-N 2 1 191.278 1.222 20 0 ADADMP C[C@@H]([NH2+]C1CC2(C1)C[C@@H]2[NH3+])C(F)F 1576239501 1170698406 /nfs/dbraw/zinc/69/84/06/1170698406.db2.gz OMZUQEYGLXLBAT-UBDASKFYSA-N 2 1 190.237 1.109 20 0 ADADMP CC1(C)CC([NH2+][C@@H]2C[NH2+]CC2(C)C)C1 1576392924 1170699816 /nfs/dbraw/zinc/69/98/16/1170699816.db2.gz BKMGSSKNRHFSFD-SNVBAGLBSA-N 2 1 196.338 1.763 20 0 ADADMP CC1(C)C[N@@H+](CC2C[NH2+]C2)[C@H]1C1CC1 1576458112 1170700805 /nfs/dbraw/zinc/70/08/05/1170700805.db2.gz YADXVIUFDWQZFR-NSHDSACASA-N 2 1 194.322 1.326 20 0 ADADMP CC1(C)C[N@@H+](CC2C[NH2+]C2)[C@@H]1C1CC1 1576458108 1170700844 /nfs/dbraw/zinc/70/08/44/1170700844.db2.gz YADXVIUFDWQZFR-LLVKDONJSA-N 2 1 194.322 1.326 20 0 ADADMP CC1(C)CC([NH2+][C@H]2C[NH2+]CC2(C)C)C1 1576392923 1170700923 /nfs/dbraw/zinc/70/09/23/1170700923.db2.gz BKMGSSKNRHFSFD-JTQLQIEISA-N 2 1 196.338 1.763 20 0 ADADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 1576526426 1170701934 /nfs/dbraw/zinc/70/19/34/1170701934.db2.gz RQHBHTPXZNFFMU-KXUCPTDWSA-N 2 1 180.295 1.269 20 0 ADADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 1576526427 1170702009 /nfs/dbraw/zinc/70/20/09/1170702009.db2.gz RQHBHTPXZNFFMU-UTLUCORTSA-N 2 1 180.295 1.269 20 0 ADADMP CC1CC(C[NH2+][C@H](C[NH3+])C2CC2)C1 1576598119 1170702254 /nfs/dbraw/zinc/70/22/54/1170702254.db2.gz KYALYSHMGZCTFW-NWGYLPEXSA-N 2 1 182.311 1.359 20 0 ADADMP CC1CC(C[NH2+][C@@H](C[NH3+])C2CC2)C1 1576598118 1170703341 /nfs/dbraw/zinc/70/33/41/1170703341.db2.gz KYALYSHMGZCTFW-AMUVOQDHSA-N 2 1 182.311 1.359 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576627059 1170704964 /nfs/dbraw/zinc/70/49/64/1170704964.db2.gz MDGNGXUCZWOOOZ-WYUUTHIRSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576627057 1170706065 /nfs/dbraw/zinc/70/60/65/1170706065.db2.gz MDGNGXUCZWOOOZ-QCNOEVLYSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 1576627058 1170706081 /nfs/dbraw/zinc/70/60/81/1170706081.db2.gz MDGNGXUCZWOOOZ-USZNOCQGSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576627193 1170706598 /nfs/dbraw/zinc/70/65/98/1170706598.db2.gz PMETWASRXIDVDF-KXNHARMFSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576627357 1170707569 /nfs/dbraw/zinc/70/75/69/1170707569.db2.gz PMETWASRXIDVDF-YFKTTZPYSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 1576627356 1170707621 /nfs/dbraw/zinc/70/76/21/1170707621.db2.gz PMETWASRXIDVDF-QCNOEVLYSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@@H]1CSC[C@H]1[NH2+]C(C)(C)C[NH3+] 1576862495 1170709577 /nfs/dbraw/zinc/70/95/77/1170709577.db2.gz VNJGFWOQIYSSMA-HTQZYQBOSA-N 2 1 188.340 1.065 20 0 ADADMP C[C@H]1CSC[C@H]1[NH2+]C(C)(C)C[NH3+] 1576862496 1170710920 /nfs/dbraw/zinc/71/09/20/1170710920.db2.gz VNJGFWOQIYSSMA-JGVFFNPUSA-N 2 1 188.340 1.065 20 0 ADADMP C[C@H]1CSC[C@@H]1[NH2+]C(C)(C)C[NH3+] 1576862498 1170711028 /nfs/dbraw/zinc/71/10/28/1170711028.db2.gz VNJGFWOQIYSSMA-YUMQZZPRSA-N 2 1 188.340 1.065 20 0 ADADMP C[C@@H]1CSC[C@@H]1[NH2+]C(C)(C)C[NH3+] 1576862497 1170711352 /nfs/dbraw/zinc/71/13/52/1170711352.db2.gz VNJGFWOQIYSSMA-SFYZADRCSA-N 2 1 188.340 1.065 20 0 ADADMP CC[C@H](C)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576984619 1170712222 /nfs/dbraw/zinc/71/22/22/1170712222.db2.gz LBUUYMPHJPTEMR-UKKRHICBSA-N 2 1 182.311 1.182 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+]C(C)(C)C[NH3+] 1577246646 1170713430 /nfs/dbraw/zinc/71/34/30/1170713430.db2.gz KIUGNUYISMXHKY-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]C(C)(C)C[NH3+] 1577246644 1170713820 /nfs/dbraw/zinc/71/38/20/1170713820.db2.gz KIUGNUYISMXHKY-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]C(C)(C)C[NH3+] 1577246647 1170713856 /nfs/dbraw/zinc/71/38/56/1170713856.db2.gz KIUGNUYISMXHKY-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+]C(C)(C)C[NH3+] 1577246645 1170714520 /nfs/dbraw/zinc/71/45/20/1170714520.db2.gz KIUGNUYISMXHKY-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1576984620 1170714533 /nfs/dbraw/zinc/71/45/33/1170714533.db2.gz LBUUYMPHJPTEMR-ZNSHCXBVSA-N 2 1 182.311 1.182 20 0 ADADMP CC/C=C\CC[N@@H+]1CC2CC1(C[NH3+])C2 1577312540 1170714776 /nfs/dbraw/zinc/71/47/76/1170714776.db2.gz GUAZJMBQRVRYCH-ARJAWSKDSA-N 2 1 194.322 1.766 20 0 ADADMP CC/C=C\CC[N@H+]1CC2CC1(C[NH3+])C2 1577312540 1170714781 /nfs/dbraw/zinc/71/47/81/1170714781.db2.gz GUAZJMBQRVRYCH-ARJAWSKDSA-N 2 1 194.322 1.766 20 0 ADADMP CC/C=C\CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577313182 1170714855 /nfs/dbraw/zinc/71/48/55/1170714855.db2.gz WQWPANLMOXGMAT-RRNNCXACSA-N 2 1 194.322 1.636 20 0 ADADMP CC/C=C\CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577313182 1170714863 /nfs/dbraw/zinc/71/48/63/1170714863.db2.gz WQWPANLMOXGMAT-RRNNCXACSA-N 2 1 194.322 1.636 20 0 ADADMP CC[C@H]1CC[N@@H+](CC2(C[NH3+])CC2)[C@H]1C 1577262686 1170715206 /nfs/dbraw/zinc/71/52/06/1170715206.db2.gz KZDKLKQSUFEDHQ-QWRGUYRKSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]1CC[N@@H+](CC2C[NH2+]C2)[C@@H]1C 1577262099 1170715223 /nfs/dbraw/zinc/71/52/23/1170715223.db2.gz CWMCBWFYLJRJFE-KOLCDFICSA-N 2 1 182.311 1.326 20 0 ADADMP CCCCC[NH2+]C[C@@H]([NH3+])CC(F)F 1577435345 1170715540 /nfs/dbraw/zinc/71/55/40/1170715540.db2.gz YEEFKFVSKQGQHU-QMMMGPOBSA-N 2 1 194.269 1.749 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC2(C[NH3+])CC2)[C@@H]1C 1577262683 1170715630 /nfs/dbraw/zinc/71/56/30/1170715630.db2.gz KZDKLKQSUFEDHQ-GHMZBOCLSA-N 2 1 196.338 1.846 20 0 ADADMP CC/C=C/CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577313181 1170715670 /nfs/dbraw/zinc/71/56/70/1170715670.db2.gz WQWPANLMOXGMAT-HEKLCECKSA-N 2 1 194.322 1.636 20 0 ADADMP CC/C=C/CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1577313181 1170715676 /nfs/dbraw/zinc/71/56/76/1170715676.db2.gz WQWPANLMOXGMAT-HEKLCECKSA-N 2 1 194.322 1.636 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1577246851 1170715907 /nfs/dbraw/zinc/71/59/07/1170715907.db2.gz UHBCKVZUEMVIQB-DDHJBXDOSA-N 2 1 196.338 1.905 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1577246853 1170716043 /nfs/dbraw/zinc/71/60/43/1170716043.db2.gz UHBCKVZUEMVIQB-WRWGMCAJSA-N 2 1 196.338 1.905 20 0 ADADMP CC/C=C/CC[N@@H+]1CC2CC1(C[NH3+])C2 1577312541 1170716093 /nfs/dbraw/zinc/71/60/93/1170716093.db2.gz GUAZJMBQRVRYCH-ONEGZZNKSA-N 2 1 194.322 1.766 20 0 ADADMP CC/C=C/CC[N@H+]1CC2CC1(C[NH3+])C2 1577312541 1170716099 /nfs/dbraw/zinc/71/60/99/1170716099.db2.gz GUAZJMBQRVRYCH-ONEGZZNKSA-N 2 1 194.322 1.766 20 0 ADADMP CC[C@H]1CC[N@@H+](CC2C[NH2+]C2)[C@H]1C 1577262101 1170716187 /nfs/dbraw/zinc/71/61/87/1170716187.db2.gz CWMCBWFYLJRJFE-ONGXEEELSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC2(C[NH3+])CC2)[C@H]1C 1577262688 1170716336 /nfs/dbraw/zinc/71/63/36/1170716336.db2.gz KZDKLKQSUFEDHQ-WDEREUQCSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 1577246852 1170716649 /nfs/dbraw/zinc/71/66/49/1170716649.db2.gz UHBCKVZUEMVIQB-KXNHARMFSA-N 2 1 196.338 1.905 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC2C[NH2+]C2)[C@@H]1C 1577262100 1170716771 /nfs/dbraw/zinc/71/67/71/1170716771.db2.gz CWMCBWFYLJRJFE-MWLCHTKSSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@H]1CC[N@@H+](CC2(C[NH3+])CC2)[C@@H]1C 1577262685 1170717102 /nfs/dbraw/zinc/71/71/02/1170717102.db2.gz KZDKLKQSUFEDHQ-MNOVXSKESA-N 2 1 196.338 1.846 20 0 ADADMP CCCCC[NH2+]C[C@H]([NH3+])CC(F)F 1577435344 1170717529 /nfs/dbraw/zinc/71/75/29/1170717529.db2.gz YEEFKFVSKQGQHU-MRVPVSSYSA-N 2 1 194.269 1.749 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC2C[NH2+]C2)[C@H]1C 1577262098 1170717538 /nfs/dbraw/zinc/71/75/38/1170717538.db2.gz CWMCBWFYLJRJFE-GXSJLCMTSA-N 2 1 182.311 1.326 20 0 ADADMP CC[N@H+]1C[C@H]2CCCC[C@]2(C[NH3+])C1 1577758678 1170718180 /nfs/dbraw/zinc/71/81/80/1170718180.db2.gz ANOMTMQWEKHFAW-MNOVXSKESA-N 2 1 182.311 1.457 20 0 ADADMP CC[N@H+]1C[C@@H]2CCCC[C@@]2(C[NH3+])C1 1577758680 1170718712 /nfs/dbraw/zinc/71/87/12/1170718712.db2.gz ANOMTMQWEKHFAW-WDEREUQCSA-N 2 1 182.311 1.457 20 0 ADADMP CC[N@H+]1C[C@H]2CCCC[C@@]2(C[NH3+])C1 1577758677 1170718743 /nfs/dbraw/zinc/71/87/43/1170718743.db2.gz ANOMTMQWEKHFAW-GHMZBOCLSA-N 2 1 182.311 1.457 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578226958 1170718873 /nfs/dbraw/zinc/71/88/73/1170718873.db2.gz DLLGDZNITIADLH-LVEVGFFFSA-N 2 1 194.322 1.182 20 0 ADADMP CC[N@H+]1C[C@@H]2CCCC[C@]2(C[NH3+])C1 1577758679 1170719048 /nfs/dbraw/zinc/71/90/48/1170719048.db2.gz ANOMTMQWEKHFAW-QWRGUYRKSA-N 2 1 182.311 1.457 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C1CC1 1578227940 1170721782 /nfs/dbraw/zinc/72/17/82/1170721782.db2.gz BXNCBWNNXPOSND-MIMYLULJSA-N 2 1 182.311 1.359 20 0 ADADMP CCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)o1 1578259780 1170722012 /nfs/dbraw/zinc/72/20/12/1170722012.db2.gz JEJNCCGLTYWVJZ-DTORHVGOSA-N 2 1 194.278 1.421 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C1CC1 1578227939 1170722958 /nfs/dbraw/zinc/72/29/58/1170722958.db2.gz BXNCBWNNXPOSND-DVVUODLYSA-N 2 1 182.311 1.359 20 0 ADADMP CCc1cccc(C[NH2+]C[C@@H](C)[NH3+])c1 1578266743 1170723235 /nfs/dbraw/zinc/72/32/35/1170723235.db2.gz PUWNFIVCQQJBHM-SNVBAGLBSA-N 2 1 192.306 1.686 20 0 ADADMP CCc1cccc(C[NH2+]C[C@H](C)[NH3+])c1 1578266738 1170723557 /nfs/dbraw/zinc/72/35/57/1170723557.db2.gz PUWNFIVCQQJBHM-JTQLQIEISA-N 2 1 192.306 1.686 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578227157 1170723659 /nfs/dbraw/zinc/72/36/59/1170723659.db2.gz VPFGAEUPOFJFTE-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 1578227157 1170723661 /nfs/dbraw/zinc/72/36/61/1170723661.db2.gz VPFGAEUPOFJFTE-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP C[N@@H+](CC1(C)CCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578445901 1170725102 /nfs/dbraw/zinc/72/51/02/1170725102.db2.gz XZQJYRXGQBYJNM-URLYPYJESA-N 2 1 194.322 1.326 20 0 ADADMP C[NH2+][C@@H](C)CC[NH2+]Cc1cncs1 1578571945 1170725479 /nfs/dbraw/zinc/72/54/79/1170725479.db2.gz XWSCVQJGCJPCCG-QMMMGPOBSA-N 2 1 199.323 1.231 20 0 ADADMP C[N@@H+](CC1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578449835 1170725718 /nfs/dbraw/zinc/72/57/18/1170725718.db2.gz BFWJNKSHNNVSDU-GDNZZTSVSA-N 2 1 194.322 1.326 20 0 ADADMP C[N@@H+](CCC1CCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578463538 1170726190 /nfs/dbraw/zinc/72/61/90/1170726190.db2.gz JNCCQIXEOMQGBX-GDNZZTSVSA-N 2 1 194.322 1.326 20 0 ADADMP C[N@@H+](CCCC1CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 1578463436 1170726778 /nfs/dbraw/zinc/72/67/78/1170726778.db2.gz GSLRJYIXFCFRBJ-GDNZZTSVSA-N 2 1 194.322 1.326 20 0 ADADMP C[NH2+][C@H](C)CC[NH2+]Cc1cncs1 1578571944 1170726913 /nfs/dbraw/zinc/72/69/13/1170726913.db2.gz XWSCVQJGCJPCCG-MRVPVSSYSA-N 2 1 199.323 1.231 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](C2CCC2)C1 1578687408 1170729715 /nfs/dbraw/zinc/72/97/15/1170729715.db2.gz YOQAWVLNCXHDJY-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@H](C2CCC2)C1 1578687415 1170729844 /nfs/dbraw/zinc/72/98/44/1170729844.db2.gz YOQAWVLNCXHDJY-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21 1579476934 1170735917 /nfs/dbraw/zinc/73/59/17/1170735917.db2.gz OMSLTHGJOYFQAR-XFWSIPNHSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 1579476933 1170736367 /nfs/dbraw/zinc/73/63/67/1170736367.db2.gz OMSLTHGJOYFQAR-KATARQTJSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[NH2+]C1 1579471047 1170737815 /nfs/dbraw/zinc/73/78/15/1170737815.db2.gz XLEMPGOPZXCDOO-CSYMLDBXSA-N 2 1 194.322 1.373 20 0 ADADMP C[C@H]1CCC[N@@H+](C[C@@]23C[NH2+]C[C@@H]2C3)C1 1579486979 1170738340 /nfs/dbraw/zinc/73/83/40/1170738340.db2.gz VCBZKSIDJLZXFY-SDDRHHMPSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 1579471048 1170739460 /nfs/dbraw/zinc/73/94/60/1170739460.db2.gz XLEMPGOPZXCDOO-PZWNZHSQSA-N 2 1 194.322 1.373 20 0 ADADMP C[C@H]1CCC[N@@H+](C[C@]23C[NH2+]C[C@H]2C3)C1 1579486981 1170739518 /nfs/dbraw/zinc/73/95/18/1170739518.db2.gz VCBZKSIDJLZXFY-TUAOUCFPSA-N 2 1 194.322 1.328 20 0 ADADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)sn1 1579601074 1170740626 /nfs/dbraw/zinc/74/06/26/1170740626.db2.gz IYWKPYGIFPMIFC-OCAPTIKFSA-N 2 1 197.307 1.031 20 0 ADADMP Cc1ccoc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579814886 1170741045 /nfs/dbraw/zinc/74/10/45/1170741045.db2.gz RUPYFJRKYVOLJY-KYZUINATSA-N 2 1 180.251 1.167 20 0 ADADMP Cc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C2)c(C)o1 1579601093 1170741395 /nfs/dbraw/zinc/74/13/95/1170741395.db2.gz JKODSBXJLXLVGN-PHIMTYICSA-N 2 1 194.278 1.476 20 0 ADADMP Cc1ncsc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579886695 1170741615 /nfs/dbraw/zinc/74/16/15/1170741615.db2.gz XJECCEYWYLHRPT-OCAPTIKFSA-N 2 1 197.307 1.031 20 0 ADADMP Cc1ccoc1C[NH2+][C@H]1C[C@@H]([NH3+])C1 1579814885 1170741704 /nfs/dbraw/zinc/74/17/04/1170741704.db2.gz RUPYFJRKYVOLJY-DTORHVGOSA-N 2 1 180.251 1.167 20 0 ADADMP Cc1occc1C[NH2+][C@H]1C[C@H]([NH3+])C1 1579931625 1170742037 /nfs/dbraw/zinc/74/20/37/1170742037.db2.gz LOZMGJOLIGROTQ-MGCOHNPYSA-N 2 1 180.251 1.167 20 0 ADADMP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)o1 1579696895 1170742130 /nfs/dbraw/zinc/74/21/30/1170742130.db2.gz LMWUUYLEAKHUBF-KYZUINATSA-N 2 1 180.251 1.167 20 0 ADADMP Cc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)sn1 1579601075 1170742906 /nfs/dbraw/zinc/74/29/06/1170742906.db2.gz IYWKPYGIFPMIFC-ZKCHVHJHSA-N 2 1 197.307 1.031 20 0 ADADMP F[C@H]1CCCC[C@H]1[NH2+]CC1C[NH2+]C1 1580028509 1170745671 /nfs/dbraw/zinc/74/56/71/1170745671.db2.gz ZSZGRERSMPXDTQ-VHSXEESVSA-N 2 1 186.274 1.076 20 0 ADADMP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]3C[C@H]23)CC1 1580152318 1170750727 /nfs/dbraw/zinc/75/07/27/1170750727.db2.gz GPTNZDWZPADSLT-UTLUCORTSA-N 2 1 180.295 1.256 20 0 ADADMP [NH3+]C1(C[NH2+]C2CC3(CCCC3)C2)CC1 1580152883 1170751117 /nfs/dbraw/zinc/75/11/17/1170751117.db2.gz WNKHLYKTXZQBBD-UHFFFAOYSA-N 2 1 194.322 1.790 20 0 ADADMP [NH3+]CCC[N@H+]1CC=CC12CCCCC2 1580298636 1170753992 /nfs/dbraw/zinc/75/39/92/1170753992.db2.gz SOIYMEMQRZQVBG-UHFFFAOYSA-N 2 1 194.322 1.910 20 0 ADADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2F)C1 1580423072 1170759419 /nfs/dbraw/zinc/75/94/19/1170759419.db2.gz ODASSBMJQNVBOZ-AOOOYVTPSA-N 2 1 194.253 1.405 20 0 ADADMP CCC[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1654762603 1170918061 /nfs/dbraw/zinc/91/80/61/1170918061.db2.gz PZNABZHTXVSFOF-WDEREUQCSA-N 2 1 182.311 1.565 20 0 ADADMP CCC[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1654762603 1170918068 /nfs/dbraw/zinc/91/80/68/1170918068.db2.gz PZNABZHTXVSFOF-WDEREUQCSA-N 2 1 182.311 1.565 20 0 ADADMP CCC[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1654762603 1170918075 /nfs/dbraw/zinc/91/80/75/1170918075.db2.gz PZNABZHTXVSFOF-WDEREUQCSA-N 2 1 182.311 1.565 20 0 ADADMP CCC[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1654762603 1170918082 /nfs/dbraw/zinc/91/80/82/1170918082.db2.gz PZNABZHTXVSFOF-WDEREUQCSA-N 2 1 182.311 1.565 20 0 ADADMP CC(C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 1655278244 1170920838 /nfs/dbraw/zinc/92/08/38/1170920838.db2.gz NLLMMVOCJHWHMO-MNOVXSKESA-N 2 1 182.311 1.278 20 0 ADADMP CC(C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 1655278244 1170920839 /nfs/dbraw/zinc/92/08/39/1170920839.db2.gz NLLMMVOCJHWHMO-MNOVXSKESA-N 2 1 182.311 1.278 20 0 ADADMP CC(C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 1655278244 1170920844 /nfs/dbraw/zinc/92/08/44/1170920844.db2.gz NLLMMVOCJHWHMO-MNOVXSKESA-N 2 1 182.311 1.278 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCC[C@@H](C)C1 235297659 571736848 /nfs/dbraw/zinc/73/68/48/571736848.db2.gz XWCRLMXDYBDKDM-VWYCJHECSA-N 2 1 184.327 1.750 20 0 ADADMP C[N@H+](CCC[NH3+])CCC(F)(F)F 70911799 571743137 /nfs/dbraw/zinc/74/31/37/571743137.db2.gz AVSJDQJRQVDOGM-UHFFFAOYSA-N 2 1 184.205 1.219 20 0 ADADMP C[N@@H+](CCC[NH3+])CCC(F)(F)F 70911799 571743138 /nfs/dbraw/zinc/74/31/38/571743138.db2.gz AVSJDQJRQVDOGM-UHFFFAOYSA-N 2 1 184.205 1.219 20 0 ADADMP CC[C@@H](C)[C@@H](C[NH+]1CCCC1)[NH2+]C 87527386 571767989 /nfs/dbraw/zinc/76/79/89/571767989.db2.gz DJYMMRYABHLOHP-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 37712937 571796633 /nfs/dbraw/zinc/79/66/33/571796633.db2.gz ZLGGXSSNZKSTSJ-SDDRHHMPSA-N 2 1 196.338 1.894 20 0 ADADMP C[C@H]([NH3+])C[NH2+]Cc1ccccc1 38282252 571842407 /nfs/dbraw/zinc/84/24/07/571842407.db2.gz QEXJEJPSPOSZIS-VIFPVBQESA-N 2 1 164.252 1.123 20 0 ADADMP CC(C)([NH3+])CC[NH2+]Cc1ccccn1 258870875 571845975 /nfs/dbraw/zinc/84/59/75/571845975.db2.gz ZOFCEQAFPYUZGS-UHFFFAOYSA-N 2 1 193.294 1.299 20 0 ADADMP CCC[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 5834661 571849500 /nfs/dbraw/zinc/84/95/00/571849500.db2.gz RTLXIYKLJPTERS-FGWVZKOKSA-N 2 1 182.311 1.611 20 0 ADADMP CCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300045166 571887643 /nfs/dbraw/zinc/88/76/43/571887643.db2.gz YYMUYBOMIAKJSM-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CCCCCC[N@@H+]1CC[C@H]([NH3+])C1 31996476 571896679 /nfs/dbraw/zinc/89/66/79/571896679.db2.gz XGZFRWRASVNGLZ-JTQLQIEISA-N 2 1 170.300 1.600 20 0 ADADMP CCCCCC[N@H+]1CC[C@H]([NH3+])C1 31996476 571896680 /nfs/dbraw/zinc/89/66/80/571896680.db2.gz XGZFRWRASVNGLZ-JTQLQIEISA-N 2 1 170.300 1.600 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 335266458 571944561 /nfs/dbraw/zinc/94/45/61/571944561.db2.gz MTKZQTBRSMICRI-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 335266461 571946214 /nfs/dbraw/zinc/94/62/14/571946214.db2.gz MTKZQTBRSMICRI-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 335266460 571946488 /nfs/dbraw/zinc/94/64/88/571946488.db2.gz MTKZQTBRSMICRI-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 335266459 571946645 /nfs/dbraw/zinc/94/66/45/571946645.db2.gz MTKZQTBRSMICRI-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH+]1CCC([NH2+]C/C=C/Cl)CC1 234328115 571969481 /nfs/dbraw/zinc/96/94/81/571969481.db2.gz SVPVLOCKZHSZND-GORDUTHDSA-N 2 1 188.702 1.423 20 0 ADADMP CC(C)(C)CC[NH2+]Cc1c[nH]cn1 82394599 572023719 /nfs/dbraw/zinc/02/37/19/572023719.db2.gz BUMXSDGVZNTUGW-UHFFFAOYSA-N 2 1 181.283 1.936 20 0 ADADMP CCC(O)(CC)C[NH2+]Cc1c[nH]cn1 82394825 572023941 /nfs/dbraw/zinc/02/39/41/572023941.db2.gz FFAXOMDJRIBSBO-UHFFFAOYSA-N 2 1 197.282 1.050 20 0 ADADMP CC[C@@H](C)[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 42556575 572036628 /nfs/dbraw/zinc/03/66/28/572036628.db2.gz CILRSPPOCUMSKH-UTLUCORTSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccco1 82560522 572047055 /nfs/dbraw/zinc/04/70/55/572047055.db2.gz RIYZVEPIDQJPRS-ZJUUUORDSA-N 2 1 194.278 1.225 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC1CC1 82560490 572048025 /nfs/dbraw/zinc/04/80/25/572048025.db2.gz MDNOTYJLZASCLM-KOLCDFICSA-N 2 1 182.311 1.184 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1cccs1 235094267 572058377 /nfs/dbraw/zinc/05/83/77/572058377.db2.gz DONVIJZLVIOPRZ-BDAKNGLRSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)Cc1ccsc1 235094326 572060468 /nfs/dbraw/zinc/06/04/68/572060468.db2.gz UAPCHGCKPHCAGQ-BDAKNGLRSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1 235095474 572061080 /nfs/dbraw/zinc/06/10/80/572061080.db2.gz RYBQRDXDFPMXHJ-DTWKUNHWSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] 235096625 572061605 /nfs/dbraw/zinc/06/16/05/572061605.db2.gz QMPXQIHKJNEORW-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccs1 235096967 572063145 /nfs/dbraw/zinc/06/31/45/572063145.db2.gz WTYCWDRAQDPMOU-JGVFFNPUSA-N 2 1 184.308 1.746 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])c1 235096148 572063387 /nfs/dbraw/zinc/06/33/87/572063387.db2.gz AEKJIUBHGDXOQX-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP CC[N@@H+](CCCCCC[NH3+])C1CC1 37080159 572084658 /nfs/dbraw/zinc/08/46/58/572084658.db2.gz QBBQYDITYCWETM-UHFFFAOYSA-N 2 1 184.327 1.990 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C(C1CC1)C1CC1 235124103 572091704 /nfs/dbraw/zinc/09/17/04/572091704.db2.gz GSHBRSNCPXGNLW-ZETCQYMHSA-N 2 1 168.284 1.112 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CC[NH2+]C 37173539 572103014 /nfs/dbraw/zinc/10/30/14/572103014.db2.gz OSPUPHZQWMEBHG-VIFPVBQESA-N 2 1 158.289 1.184 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@H](C)c1ccccc1 235135562 572102701 /nfs/dbraw/zinc/10/27/01/572102701.db2.gz QBFHABJQVRKFMZ-QWRGUYRKSA-N 2 1 192.306 1.727 20 0 ADADMP CC[C@H](C)C[N@H+](C)CC[NH2+]C 37173539 572103012 /nfs/dbraw/zinc/10/30/12/572103012.db2.gz OSPUPHZQWMEBHG-VIFPVBQESA-N 2 1 158.289 1.184 20 0 ADADMP Cc1cccc(C)c1C[NH2+][C@@H](C)C[NH3+] 235136739 572103225 /nfs/dbraw/zinc/10/32/25/572103225.db2.gz ADYZEPSXIBIRLD-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP CC[C@@H](C)C[N@H+](C)CC[NH2+]C 37173538 572103737 /nfs/dbraw/zinc/10/37/37/572103737.db2.gz OSPUPHZQWMEBHG-SECBINFHSA-N 2 1 158.289 1.184 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CC[NH2+]C 37173538 572103741 /nfs/dbraw/zinc/10/37/41/572103741.db2.gz OSPUPHZQWMEBHG-SECBINFHSA-N 2 1 158.289 1.184 20 0 ADADMP C[NH2+]CC[N@H+](C)CC1CCCCC1 37269527 572109450 /nfs/dbraw/zinc/10/94/50/572109450.db2.gz AJRICUVFCZGQRC-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP C[NH2+]CC[N@@H+](C)CC1CCCCC1 37269527 572109454 /nfs/dbraw/zinc/10/94/54/572109454.db2.gz AJRICUVFCZGQRC-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCCC1 235142799 572110243 /nfs/dbraw/zinc/11/02/43/572110243.db2.gz XFEFXHTWXYHETA-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP CCCCCC[N@H+](C)CCN 37267944 572110622 /nfs/dbraw/zinc/11/06/22/572110622.db2.gz PNVXAHYTJZYCDC-UHFFFAOYSA-N 2 1 158.289 1.457 20 0 ADADMP CCCCCC[N@@H+](C)CCN 37267944 572110626 /nfs/dbraw/zinc/11/06/26/572110626.db2.gz PNVXAHYTJZYCDC-UHFFFAOYSA-N 2 1 158.289 1.457 20 0 ADADMP CCCCCC[N@H+](C)CC[NH3+] 37267944 572110630 /nfs/dbraw/zinc/11/06/30/572110630.db2.gz PNVXAHYTJZYCDC-UHFFFAOYSA-N 2 1 158.289 1.457 20 0 ADADMP CCCCCC[N@@H+](C)CC[NH3+] 37267944 572110634 /nfs/dbraw/zinc/11/06/34/572110634.db2.gz PNVXAHYTJZYCDC-UHFFFAOYSA-N 2 1 158.289 1.457 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CC1 235143217 572110643 /nfs/dbraw/zinc/11/06/43/572110643.db2.gz XNAYLGZCRIAQQF-YUMQZZPRSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCCCC1 235142843 572111877 /nfs/dbraw/zinc/11/18/77/572111877.db2.gz DQZLQOKUFSBTFL-UWVGGRQHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1cccs1 235144382 572114165 /nfs/dbraw/zinc/11/41/65/572114165.db2.gz DONVIJZLVIOPRZ-IUCAKERBSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(F)cc1 235145276 572114247 /nfs/dbraw/zinc/11/42/47/572114247.db2.gz RYBQRDXDFPMXHJ-IUCAKERBSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1 235144989 572115349 /nfs/dbraw/zinc/11/53/49/572115349.db2.gz SVILCEGHHBHQCG-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)Cc1ccsc1 235144420 572116955 /nfs/dbraw/zinc/11/69/55/572116955.db2.gz UAPCHGCKPHCAGQ-IUCAKERBSA-N 2 1 198.335 1.616 20 0 ADADMP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] 235145836 572117819 /nfs/dbraw/zinc/11/78/19/572117819.db2.gz QMPXQIHKJNEORW-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP Cc1cccc([C@H](C)[NH2+][C@@H](C)C[NH3+])c1 235145506 572117833 /nfs/dbraw/zinc/11/78/33/572117833.db2.gz AEKJIUBHGDXOQX-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP CCCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37408391 572118469 /nfs/dbraw/zinc/11/84/69/572118469.db2.gz MMEYHWDYVZYSPA-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CCCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37408390 572120960 /nfs/dbraw/zinc/12/09/60/572120960.db2.gz MMEYHWDYVZYSPA-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCCCC1 235150156 572128392 /nfs/dbraw/zinc/12/83/92/572128392.db2.gz DQZLQOKUFSBTFL-VHSXEESVSA-N 2 1 184.327 1.892 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@@H](C)CC(C)C 300952381 572131064 /nfs/dbraw/zinc/13/10/64/572131064.db2.gz PXMJVVWRHKQAOZ-NSHDSACASA-N 2 1 186.343 1.820 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@@H](C)CC(C)C 300952381 572131066 /nfs/dbraw/zinc/13/10/66/572131066.db2.gz PXMJVVWRHKQAOZ-NSHDSACASA-N 2 1 186.343 1.820 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@H](C)CC(C)C 300952377 572131820 /nfs/dbraw/zinc/13/18/20/572131820.db2.gz PXMJVVWRHKQAOZ-LLVKDONJSA-N 2 1 186.343 1.820 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@H](C)CC(C)C 300952377 572131822 /nfs/dbraw/zinc/13/18/22/572131822.db2.gz PXMJVVWRHKQAOZ-LLVKDONJSA-N 2 1 186.343 1.820 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CC1CC1 235150418 572132877 /nfs/dbraw/zinc/13/28/77/572132877.db2.gz XNAYLGZCRIAQQF-SFYZADRCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CCc1ccco1 235150624 572136313 /nfs/dbraw/zinc/13/63/13/572136313.db2.gz OYJUJARDMUJPRC-ZJUUUORDSA-N 2 1 196.294 1.538 20 0 ADADMP CCC(CC)C[N@H+](C)CC[NH2+]C 69800938 572142512 /nfs/dbraw/zinc/14/25/12/572142512.db2.gz BUAFBPWJINCSCZ-UHFFFAOYSA-N 2 1 172.316 1.574 20 0 ADADMP CCC(CC)C[N@@H+](C)CC[NH2+]C 69800938 572142516 /nfs/dbraw/zinc/14/25/16/572142516.db2.gz BUAFBPWJINCSCZ-UHFFFAOYSA-N 2 1 172.316 1.574 20 0 ADADMP CC[N@H+](CC[NH2+]C(C)C)C(C)C 37477284 572145610 /nfs/dbraw/zinc/14/56/10/572145610.db2.gz NWNKLHWWZAZWIS-UHFFFAOYSA-N 2 1 172.316 1.715 20 0 ADADMP CC[N@@H+](CC[NH2+]C(C)C)C(C)C 37477284 572145614 /nfs/dbraw/zinc/14/56/14/572145614.db2.gz NWNKLHWWZAZWIS-UHFFFAOYSA-N 2 1 172.316 1.715 20 0 ADADMP CC[N@H+](CC[NH2+]CC1CC1)C(C)C 37478551 572153188 /nfs/dbraw/zinc/15/31/88/572153188.db2.gz OVQPAUKNABMVML-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](CC[NH2+]CC1CC1)C(C)C 37478551 572153189 /nfs/dbraw/zinc/15/31/89/572153189.db2.gz OVQPAUKNABMVML-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CCCCCC[C@@H](C)[NH2+]CC[NH3+] 37712719 572177012 /nfs/dbraw/zinc/17/70/12/572177012.db2.gz KNSJFVGQBUTHIH-SNVBAGLBSA-N 2 1 172.316 1.894 20 0 ADADMP CCCCCC[C@H](C)[NH2+]CC[NH3+] 37712720 572180271 /nfs/dbraw/zinc/18/02/71/572180271.db2.gz KNSJFVGQBUTHIH-JTQLQIEISA-N 2 1 172.316 1.894 20 0 ADADMP CCCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 83119676 572186175 /nfs/dbraw/zinc/18/61/75/572186175.db2.gz ZWAXIAHXERJXDR-TXEJJXNPSA-N 2 1 196.338 1.718 20 0 ADADMP CCc1[nH+]ccn1C[C@@H]1CCC[NH2+]C1 43472197 572187735 /nfs/dbraw/zinc/18/77/35/572187735.db2.gz CFFZLTSSFNINLR-SNVBAGLBSA-N 2 1 193.294 1.445 20 0 ADADMP CCc1[nH+]ccn1C[C@H]1CCC[NH2+]C1 43472199 572187946 /nfs/dbraw/zinc/18/79/46/572187946.db2.gz CFFZLTSSFNINLR-JTQLQIEISA-N 2 1 193.294 1.445 20 0 ADADMP CC[N@@H+](CCC[NH3+])C(C)C 36731807 572221469 /nfs/dbraw/zinc/22/14/69/572221469.db2.gz IBRHEERYRVZERA-UHFFFAOYSA-N 2 1 144.262 1.066 20 0 ADADMP C[C@@H]1CCC[N@H+]1CCCCCC[NH3+] 37911194 572237299 /nfs/dbraw/zinc/23/72/99/572237299.db2.gz PBLDDRCWYAPJHS-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CC(C)[NH2+]CC[N@@H+]1CCC[C@@H]1C 37911233 572239192 /nfs/dbraw/zinc/23/91/92/572239192.db2.gz JQDFUQBBJKCYRO-JTQLQIEISA-N 2 1 170.300 1.469 20 0 ADADMP CC(C)[NH2+]CC[N@H+]1CCC[C@@H]1C 37911233 572239193 /nfs/dbraw/zinc/23/91/93/572239193.db2.gz JQDFUQBBJKCYRO-JTQLQIEISA-N 2 1 170.300 1.469 20 0 ADADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 44527993 572242709 /nfs/dbraw/zinc/24/27/09/572242709.db2.gz DCOXNOKFFRPUOR-WDEREUQCSA-N 2 1 184.327 1.703 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1 83565767 572337454 /nfs/dbraw/zinc/33/74/54/572337454.db2.gz FXMQPWNVBAIKSM-UWVGGRQHSA-N 2 1 178.279 1.684 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1 83565769 572337760 /nfs/dbraw/zinc/33/77/60/572337760.db2.gz FXMQPWNVBAIKSM-VHSXEESVSA-N 2 1 178.279 1.684 20 0 ADADMP CCC(CC)[NH2+]C(C)(C)C[NH3+] 87156887 572382345 /nfs/dbraw/zinc/38/23/45/572382345.db2.gz URXLYTULMHMWIT-UHFFFAOYSA-N 2 1 158.289 1.502 20 0 ADADMP Cc1ccsc1C[NH2+]CC1([NH3+])CC1 87309931 572415169 /nfs/dbraw/zinc/41/51/69/572415169.db2.gz OPWDPJMEMXTFCP-UHFFFAOYSA-N 2 1 196.319 1.637 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCCCCF 308025242 572431428 /nfs/dbraw/zinc/43/14/28/572431428.db2.gz WYXUASZQAYGCFW-VIFPVBQESA-N 2 1 176.279 1.405 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCCCCF 308025241 572432582 /nfs/dbraw/zinc/43/25/82/572432582.db2.gz WYXUASZQAYGCFW-SECBINFHSA-N 2 1 176.279 1.405 20 0 ADADMP CCCC[C@@H](C)[NH2+]CC1([NH3+])CC1 83837327 572434497 /nfs/dbraw/zinc/43/44/97/572434497.db2.gz KPPDJTBAQHSWOS-SECBINFHSA-N 2 1 170.300 1.646 20 0 ADADMP [NH3+]C1(C[NH2+]C(C2CC2)C2CC2)CC1 83837114 572434876 /nfs/dbraw/zinc/43/48/76/572434876.db2.gz WXNYUOFPRPLIFP-UHFFFAOYSA-N 2 1 180.295 1.256 20 0 ADADMP CC[C@H](C)C[NH2+]CC1([NH3+])CC1 83837360 572434828 /nfs/dbraw/zinc/43/48/28/572434828.db2.gz HHOHIHOSQORZNK-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@@H](C)C[NH2+]CC1([NH3+])CC1 83837358 572436723 /nfs/dbraw/zinc/43/67/23/572436723.db2.gz HHOHIHOSQORZNK-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP CCCC[C@H](C)[NH2+]CC1([NH3+])CC1 83837329 572436868 /nfs/dbraw/zinc/43/68/68/572436868.db2.gz KPPDJTBAQHSWOS-VIFPVBQESA-N 2 1 170.300 1.646 20 0 ADADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)s1 83837310 572437101 /nfs/dbraw/zinc/43/71/01/572437101.db2.gz RKESWUBJMHUTAO-UHFFFAOYSA-N 2 1 196.319 1.637 20 0 ADADMP CC(C)CC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44535283 572441669 /nfs/dbraw/zinc/44/16/69/572441669.db2.gz BHQYJLGFBHYOHM-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP C=C/C=C\CC[N@H+](C)CCC[NH2+]C 713714493 572476347 /nfs/dbraw/zinc/47/63/47/572476347.db2.gz AGYNLFLJCXJWOX-WAYWQWQTSA-N 2 1 182.311 1.660 20 0 ADADMP C=C/C=C/CC[N@H+](C)CCC[NH2+]C 713714491 572478533 /nfs/dbraw/zinc/47/85/33/572478533.db2.gz AGYNLFLJCXJWOX-AATRIKPKSA-N 2 1 182.311 1.660 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@H](C[NH3+])C1 713716468 572484310 /nfs/dbraw/zinc/48/43/10/572484310.db2.gz LHHAIOMLHRYUNY-AAOUONPWSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@@H](C[NH3+])C1 713716471 572485681 /nfs/dbraw/zinc/48/56/81/572485681.db2.gz LHHAIOMLHRYUNY-MVZIDQBPSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@@H](C[NH3+])C1 713716478 572487294 /nfs/dbraw/zinc/48/72/94/572487294.db2.gz LHHAIOMLHRYUNY-PCAWENJQSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@H](C[NH3+])C1 713716481 572487497 /nfs/dbraw/zinc/48/74/97/572487497.db2.gz LHHAIOMLHRYUNY-VSQXVHSFSA-N 2 1 194.322 1.789 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[C@H]1C[NH2+]C 713715711 572490139 /nfs/dbraw/zinc/49/01/39/572490139.db2.gz GJZLSEWJDOJHLV-RXNFCKPNSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@H]1C[NH2+]C 713715711 572490143 /nfs/dbraw/zinc/49/01/43/572490143.db2.gz GJZLSEWJDOJHLV-RXNFCKPNSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[C@H]1C[NH2+]C 713715707 572490498 /nfs/dbraw/zinc/49/04/98/572490498.db2.gz GJZLSEWJDOJHLV-ITKZLYELSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@H]1C[NH2+]C 713715707 572490502 /nfs/dbraw/zinc/49/05/02/572490502.db2.gz GJZLSEWJDOJHLV-ITKZLYELSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H](C[NH2+]C)C1 713718331 572491065 /nfs/dbraw/zinc/49/10/65/572491065.db2.gz SAYWWZJPPVQSRU-ZYOFXKKJSA-N 2 1 194.322 1.660 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[C@@H]1C[NH2+]C 713715709 572491483 /nfs/dbraw/zinc/49/14/83/572491483.db2.gz GJZLSEWJDOJHLV-QMAVJUDZSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@@H]1C[NH2+]C 713715709 572491486 /nfs/dbraw/zinc/49/14/86/572491486.db2.gz GJZLSEWJDOJHLV-QMAVJUDZSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@H](C[NH2+]C)C1 713718330 572492931 /nfs/dbraw/zinc/49/29/31/572492931.db2.gz SAYWWZJPPVQSRU-RXNFCKPNSA-N 2 1 194.322 1.660 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[C@@H]1C[NH2+]C 713715713 572493405 /nfs/dbraw/zinc/49/34/05/572493405.db2.gz GJZLSEWJDOJHLV-ZYOFXKKJSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@@H]1C[NH2+]C 713715713 572493407 /nfs/dbraw/zinc/49/34/07/572493407.db2.gz GJZLSEWJDOJHLV-ZYOFXKKJSA-N 2 1 194.322 1.803 20 0 ADADMP C=C/C=C\CC[N@H+]1CCC[C@@H]1C[NH3+] 713716860 572494992 /nfs/dbraw/zinc/49/49/92/572494992.db2.gz MCZYRSFANURNKJ-DLRQAJBASA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C\CC[N@@H+]1CCC[C@@H]1C[NH3+] 713716860 572494994 /nfs/dbraw/zinc/49/49/94/572494994.db2.gz MCZYRSFANURNKJ-DLRQAJBASA-N 2 1 180.295 1.542 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCC1(C)C 235099168 572495858 /nfs/dbraw/zinc/49/58/58/572495858.db2.gz KVAWJZXCWCORAP-UWVGGRQHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC1(C)C 235099114 572495971 /nfs/dbraw/zinc/49/59/71/572495971.db2.gz RPYAJLRRZQETDS-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP C=C/C=C/CC[N@H+]1CCC[C@@H]1C[NH3+] 713716861 572497078 /nfs/dbraw/zinc/49/70/78/572497078.db2.gz MCZYRSFANURNKJ-PGLGOXFNSA-N 2 1 180.295 1.542 20 0 ADADMP C=C/C=C/CC[N@@H+]1CCC[C@@H]1C[NH3+] 713716861 572497082 /nfs/dbraw/zinc/49/70/82/572497082.db2.gz MCZYRSFANURNKJ-PGLGOXFNSA-N 2 1 180.295 1.542 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC(C)(C)C1 235099055 572498153 /nfs/dbraw/zinc/49/81/53/572498153.db2.gz UOEJHQOUGQQZQO-UWVGGRQHSA-N 2 1 184.327 1.892 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H](C[NH3+])C1 713717416 572499510 /nfs/dbraw/zinc/49/95/10/572499510.db2.gz ONJDHDUJLSTGCQ-PGLGOXFNSA-N 2 1 180.295 1.399 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@H](C[NH3+])C1 713717379 572500437 /nfs/dbraw/zinc/50/04/37/572500437.db2.gz ONJDHDUJLSTGCQ-BYCRGOAPSA-N 2 1 180.295 1.399 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@@H](C[NH3+])C1 713717419 572501152 /nfs/dbraw/zinc/50/11/52/572501152.db2.gz ONJDHDUJLSTGCQ-UFFNRZRYSA-N 2 1 180.295 1.399 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H](C[NH3+])C1 713717381 572501298 /nfs/dbraw/zinc/50/12/98/572501298.db2.gz ONJDHDUJLSTGCQ-DLRQAJBASA-N 2 1 180.295 1.399 20 0 ADADMP C=C/C=C\CC[N@H+]1CC[C@@H]([NH3+])C1 713718413 572514128 /nfs/dbraw/zinc/51/41/28/572514128.db2.gz SWOJAHSMVOENON-UMBAGQNISA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C/CC[N@H+]1CC[C@@H]([NH3+])C1 713718411 572513488 /nfs/dbraw/zinc/51/34/88/572513488.db2.gz SWOJAHSMVOENON-HMDXOVGESA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@@H]([NH3+])C1 713718411 572513490 /nfs/dbraw/zinc/51/34/90/572513490.db2.gz SWOJAHSMVOENON-HMDXOVGESA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C/CC[N@H+]1CC[C@H]([NH3+])C1 713718409 572513717 /nfs/dbraw/zinc/51/37/17/572513717.db2.gz SWOJAHSMVOENON-FSIBCCDJSA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C/CC[N@@H+]1CC[C@H]([NH3+])C1 713718409 572513721 /nfs/dbraw/zinc/51/37/21/572513721.db2.gz SWOJAHSMVOENON-FSIBCCDJSA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@H]([NH3+])C1 713718413 572514131 /nfs/dbraw/zinc/51/41/31/572514131.db2.gz SWOJAHSMVOENON-UMBAGQNISA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C\CC[N@H+]1CC[C@H]([NH3+])C1 713718417 572515750 /nfs/dbraw/zinc/51/57/50/572515750.db2.gz SWOJAHSMVOENON-XOULXFPDSA-N 2 1 166.268 1.152 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@H]([NH3+])C1 713718417 572515754 /nfs/dbraw/zinc/51/57/54/572515754.db2.gz SWOJAHSMVOENON-XOULXFPDSA-N 2 1 166.268 1.152 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]C(C)(C)C)C1 53657061 572515888 /nfs/dbraw/zinc/51/58/88/572515888.db2.gz OEULGIXNZTXLFJ-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]C(C)(C)C)C1 53657065 572516637 /nfs/dbraw/zinc/51/66/37/572516637.db2.gz OEULGIXNZTXLFJ-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 62861898 572516980 /nfs/dbraw/zinc/51/69/80/572516980.db2.gz SNPBUTCWZGMVIG-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 62861748 572517168 /nfs/dbraw/zinc/51/71/68/572517168.db2.gz KTBNGNHDXSVCHG-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 62861747 572517258 /nfs/dbraw/zinc/51/72/58/572517258.db2.gz KTBNGNHDXSVCHG-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 62861897 572518614 /nfs/dbraw/zinc/51/86/14/572518614.db2.gz SNPBUTCWZGMVIG-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@H]1CCC[C@H](C)C1 84344638 572538542 /nfs/dbraw/zinc/53/85/42/572538542.db2.gz DVJHAUIPNZGMMA-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@H]1CCC[C@H](C)C1 84344638 572538546 /nfs/dbraw/zinc/53/85/46/572538546.db2.gz DVJHAUIPNZGMMA-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@H]1CCC[C@@H](C)C1 84344633 572538837 /nfs/dbraw/zinc/53/88/37/572538837.db2.gz DVJHAUIPNZGMMA-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@H]1CCC[C@@H](C)C1 84344633 572538842 /nfs/dbraw/zinc/53/88/42/572538842.db2.gz DVJHAUIPNZGMMA-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@@H]1CCC[C@@H](C)C1 84344657 572538967 /nfs/dbraw/zinc/53/89/67/572538967.db2.gz DVJHAUIPNZGMMA-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 84344657 572538968 /nfs/dbraw/zinc/53/89/68/572538968.db2.gz DVJHAUIPNZGMMA-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@H+](C)C[C@@H]1CCC[C@H](C)C1 84344664 572539024 /nfs/dbraw/zinc/53/90/24/572539024.db2.gz DVJHAUIPNZGMMA-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]CC[N@@H+](C)C[C@@H]1CCC[C@H](C)C1 84344664 572539026 /nfs/dbraw/zinc/53/90/26/572539026.db2.gz DVJHAUIPNZGMMA-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C)C 84384648 572539468 /nfs/dbraw/zinc/53/94/68/572539468.db2.gz CLIABNAGSLUHPT-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C(C)C 84384650 572539661 /nfs/dbraw/zinc/53/96/61/572539661.db2.gz CLIABNAGSLUHPT-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC1(C)C 235147542 572548522 /nfs/dbraw/zinc/54/85/22/572548522.db2.gz RPYAJLRRZQETDS-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCC1(C)C 235147569 572548720 /nfs/dbraw/zinc/54/87/20/572548720.db2.gz KVAWJZXCWCORAP-VHSXEESVSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC(C)(C)C1 235147507 572550125 /nfs/dbraw/zinc/55/01/25/572550125.db2.gz UOEJHQOUGQQZQO-VHSXEESVSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCC1 235150083 572558247 /nfs/dbraw/zinc/55/82/47/572558247.db2.gz PFOCXWAWEOSQFB-JGVFFNPUSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1CCCC1 235150116 572558408 /nfs/dbraw/zinc/55/84/08/572558408.db2.gz XFEFXHTWXYHETA-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C)C1 235273679 572633644 /nfs/dbraw/zinc/63/36/44/572633644.db2.gz AUFJPWRXUJXKSI-UTLUCORTSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C 235280197 572639896 /nfs/dbraw/zinc/63/98/96/572639896.db2.gz LAYBGZFFPAPBLX-RCWTZXSCSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C)C1 235291981 572664058 /nfs/dbraw/zinc/66/40/58/572664058.db2.gz AUFJPWRXUJXKSI-KXUCPTDWSA-N 2 1 170.300 1.502 20 0 ADADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCF 87776613 572710355 /nfs/dbraw/zinc/71/03/55/572710355.db2.gz KPBZVEOFGMYUNV-VIFPVBQESA-N 2 1 174.263 1.159 20 0 ADADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCF 87776613 572710358 /nfs/dbraw/zinc/71/03/58/572710358.db2.gz KPBZVEOFGMYUNV-VIFPVBQESA-N 2 1 174.263 1.159 20 0 ADADMP CCC[N@H+](CCF)C1CC[NH2+]CC1 87776557 572712105 /nfs/dbraw/zinc/71/21/05/572712105.db2.gz UUZUASNSZWOHJD-UHFFFAOYSA-N 2 1 188.290 1.420 20 0 ADADMP CCC[N@@H+](CCF)C1CC[NH2+]CC1 87776557 572712110 /nfs/dbraw/zinc/71/21/10/572712110.db2.gz UUZUASNSZWOHJD-UHFFFAOYSA-N 2 1 188.290 1.420 20 0 ADADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CCF 87776614 572712546 /nfs/dbraw/zinc/71/25/46/572712546.db2.gz KPBZVEOFGMYUNV-SECBINFHSA-N 2 1 174.263 1.159 20 0 ADADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCF 87776614 572712549 /nfs/dbraw/zinc/71/25/49/572712549.db2.gz KPBZVEOFGMYUNV-SECBINFHSA-N 2 1 174.263 1.159 20 0 ADADMP CCC(CC)[NH2+]Cc1c[nH]cn1 54762882 572722289 /nfs/dbraw/zinc/72/22/89/572722289.db2.gz MZFSGDQQCZCZBW-UHFFFAOYSA-N 2 1 167.256 1.688 20 0 ADADMP CC1(C)C[C@@H]1[NH2+]Cc1c[nH]cn1 54765289 572722462 /nfs/dbraw/zinc/72/24/62/572722462.db2.gz COLQMNPNOVGNKY-QMMMGPOBSA-N 2 1 165.240 1.298 20 0 ADADMP c1nc(C[NH2+]C2CCCC2)c[nH]1 54762879 572723370 /nfs/dbraw/zinc/72/33/70/572723370.db2.gz VBVPQPJRAAXURT-UHFFFAOYSA-N 2 1 165.240 1.442 20 0 ADADMP c1coc(CC[NH2+]Cc2c[nH]cn2)c1 54764068 572723607 /nfs/dbraw/zinc/72/36/07/572723607.db2.gz MSDLURCUCIEFEK-UHFFFAOYSA-N 2 1 191.234 1.335 20 0 ADADMP CC(C)C[NH2+]Cc1c[nH]cn1 54762876 572724711 /nfs/dbraw/zinc/72/47/11/572724711.db2.gz KDEMOJIQWCMPPY-UHFFFAOYSA-N 2 1 153.229 1.155 20 0 ADADMP CC[C@H](C)[NH2+]Cc1c[nH]cn1 54762874 572724867 /nfs/dbraw/zinc/72/48/67/572724867.db2.gz DZOUQZOCURISOS-ZETCQYMHSA-N 2 1 153.229 1.298 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C\Cl)C1 307925330 572772500 /nfs/dbraw/zinc/77/25/00/572772500.db2.gz RVVZSHIKBLHPOO-PJKNHULFSA-N 2 1 188.702 1.408 20 0 ADADMP CC(C)C[NH2+]C[C@H]([NH3+])CC(F)F 308125943 572772714 /nfs/dbraw/zinc/77/27/14/572772714.db2.gz VKRZHAYBCZTKMF-SSDOTTSWSA-N 2 1 180.242 1.215 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)C[C@H]1CCSC1 308130890 572786455 /nfs/dbraw/zinc/78/64/55/572786455.db2.gz XHVUXGCZZWPBTH-DTWKUNHWSA-N 2 1 188.340 1.019 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1CCSC1 308130891 572786696 /nfs/dbraw/zinc/78/66/96/572786696.db2.gz XHVUXGCZZWPBTH-IUCAKERBSA-N 2 1 188.340 1.019 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1CCSC1 308130889 572786952 /nfs/dbraw/zinc/78/69/52/572786952.db2.gz XHVUXGCZZWPBTH-BDAKNGLRSA-N 2 1 188.340 1.019 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)C[C@H]1CCSC1 308130892 572787829 /nfs/dbraw/zinc/78/78/29/572787829.db2.gz XHVUXGCZZWPBTH-RKDXNWHRSA-N 2 1 188.340 1.019 20 0 ADADMP C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 308146473 572852634 /nfs/dbraw/zinc/85/26/34/572852634.db2.gz OGEZROFIMDEZJE-JGVFFNPUSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 308146473 572852638 /nfs/dbraw/zinc/85/26/38/572852638.db2.gz OGEZROFIMDEZJE-JGVFFNPUSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 308146474 572852773 /nfs/dbraw/zinc/85/27/73/572852773.db2.gz OGEZROFIMDEZJE-SFYZADRCSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 308146474 572852777 /nfs/dbraw/zinc/85/27/77/572852777.db2.gz OGEZROFIMDEZJE-SFYZADRCSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 308146475 572853650 /nfs/dbraw/zinc/85/36/50/572853650.db2.gz OGEZROFIMDEZJE-YUMQZZPRSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 308146475 572853651 /nfs/dbraw/zinc/85/36/51/572853651.db2.gz OGEZROFIMDEZJE-YUMQZZPRSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 308146472 572853927 /nfs/dbraw/zinc/85/39/27/572853927.db2.gz OGEZROFIMDEZJE-HTQZYQBOSA-N 2 1 192.253 1.311 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 308146472 572853929 /nfs/dbraw/zinc/85/39/29/572853929.db2.gz OGEZROFIMDEZJE-HTQZYQBOSA-N 2 1 192.253 1.311 20 0 ADADMP CC(C)(C[NH3+])[NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1 308174093 572896379 /nfs/dbraw/zinc/89/63/79/572896379.db2.gz DSFDJAMXNOIWJW-ILWJIGKKSA-N 2 1 182.311 1.359 20 0 ADADMP C[N@@H+](CCCF)C1CCC([NH3+])CC1 88023931 572930045 /nfs/dbraw/zinc/93/00/45/572930045.db2.gz OTQUENZGKNAKJU-UHFFFAOYSA-N 2 1 188.290 1.548 20 0 ADADMP C[N@@H+](CCCF)CC1CC[NH2+]CC1 88026445 572933219 /nfs/dbraw/zinc/93/32/19/572933219.db2.gz KCTOWWCURMQXRS-UHFFFAOYSA-N 2 1 188.290 1.277 20 0 ADADMP CS[C@@H]1CC[C@H]([N@H+](C)CC[NH3+])C1 393540789 572965073 /nfs/dbraw/zinc/96/50/73/572965073.db2.gz XSXJYGLQZSKHAU-DTWKUNHWSA-N 2 1 188.340 1.161 20 0 ADADMP CS[C@@H]1CC[C@H]([N@@H+](C)CC[NH3+])C1 393540789 572965075 /nfs/dbraw/zinc/96/50/75/572965075.db2.gz XSXJYGLQZSKHAU-DTWKUNHWSA-N 2 1 188.340 1.161 20 0 ADADMP C=C/C=C\CC[N@@H+]1CC[C@@H](CC[NH3+])C1 713656507 572968867 /nfs/dbraw/zinc/96/88/67/572968867.db2.gz CFYYGFBETFZWMZ-VSQXVHSFSA-N 2 1 194.322 1.789 20 0 ADADMP C[N@H+](C/C=C/Cl)CC(C)(C)C[NH3+] 86638285 572969312 /nfs/dbraw/zinc/96/93/12/572969312.db2.gz KMJZPQMNWZHVNP-SNAWJCMRSA-N 2 1 190.718 1.656 20 0 ADADMP C[N@@H+](C/C=C/Cl)CC(C)(C)C[NH3+] 86638285 572969314 /nfs/dbraw/zinc/96/93/14/572969314.db2.gz KMJZPQMNWZHVNP-SNAWJCMRSA-N 2 1 190.718 1.656 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 77264159 573104833 /nfs/dbraw/zinc/10/48/33/573104833.db2.gz BOMKWGFMTVQMCO-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CCCCC[N@H+]1CC[C@H](CC[NH3+])C1 77271786 573107886 /nfs/dbraw/zinc/10/78/86/573107886.db2.gz NFIOYSZKRUGIEW-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP CCCCC[N@H+]1CC[C@@H](CC[NH3+])C1 77271789 573109026 /nfs/dbraw/zinc/10/90/26/573109026.db2.gz NFIOYSZKRUGIEW-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 82648684 573144546 /nfs/dbraw/zinc/14/45/46/573144546.db2.gz WAJMDMMRSCSALZ-JYBOHDQNSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1CCC([NH3+])CC1 82648681 573146498 /nfs/dbraw/zinc/14/64/98/573146498.db2.gz WAJMDMMRSCSALZ-QYNFOATHSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1CCC([NH3+])CC1 82648683 573148867 /nfs/dbraw/zinc/14/88/67/573148867.db2.gz WAJMDMMRSCSALZ-QKEWWQLBSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1CCC([NH3+])CC1 82648682 573148971 /nfs/dbraw/zinc/14/89/71/573148971.db2.gz WAJMDMMRSCSALZ-DMOGRIERSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@@H]1CC[N@@H+](CCCCCC[NH3+])C1 40725255 573152165 /nfs/dbraw/zinc/15/21/65/573152165.db2.gz WAICEQUEUVPJIL-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP C[C@H]1CC[N@@H+](CCCCCC[NH3+])C1 40725257 573153025 /nfs/dbraw/zinc/15/30/25/573153025.db2.gz WAICEQUEUVPJIL-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ncc[nH]1 308525465 573230749 /nfs/dbraw/zinc/23/07/49/573230749.db2.gz IUCNEYMBYVRRNB-MRVPVSSYSA-N 2 1 196.298 1.188 20 0 ADADMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ncc[nH]1 308525468 573230819 /nfs/dbraw/zinc/23/08/19/573230819.db2.gz IUCNEYMBYVRRNB-QMMMGPOBSA-N 2 1 196.298 1.188 20 0 ADADMP C[C@]1(C[NH3+])CC[N@H+](C/C=C/Cl)C1 235746336 573261963 /nfs/dbraw/zinc/26/19/63/573261963.db2.gz NRBYCVCZMSEVSL-HDMKULJXSA-N 2 1 188.702 1.410 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C/Cl)C1 235746336 573261969 /nfs/dbraw/zinc/26/19/69/573261969.db2.gz NRBYCVCZMSEVSL-HDMKULJXSA-N 2 1 188.702 1.410 20 0 ADADMP NCC[NH2+]C/C=C\c1ccccc1 200956600 573264300 /nfs/dbraw/zinc/26/43/00/573264300.db2.gz LONCNVMFCFIQBK-DAXSKMNVSA-N 2 1 176.263 1.248 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 308534675 573291228 /nfs/dbraw/zinc/29/12/28/573291228.db2.gz DCYRVLYQBQGOTA-TXEJJXNPSA-N 2 1 194.322 1.494 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2ccc(F)cc2)CC1 259099730 573375961 /nfs/dbraw/zinc/37/59/61/573375961.db2.gz OHZALOFKRVZYFO-UHFFFAOYSA-N 2 1 194.253 1.407 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2CC[NH2+]C[C@@H]2C1 107229784 573436143 /nfs/dbraw/zinc/43/61/43/573436143.db2.gz QNBSALZWEPWOAA-GHMZBOCLSA-N 2 1 182.311 1.326 20 0 ADADMP C1C[C@H]2CC[N@H+](C3CC3)C[C@H]2C[NH2+]1 107227940 573437460 /nfs/dbraw/zinc/43/74/60/573437460.db2.gz YXQCDIWPBKUKOB-VHSXEESVSA-N 2 1 180.295 1.080 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCC1CCC1 258656447 573444169 /nfs/dbraw/zinc/44/41/69/573444169.db2.gz BIAFANFDMYSZQY-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCC1CCC1 258658422 573453110 /nfs/dbraw/zinc/45/31/10/573453110.db2.gz BIAFANFDMYSZQY-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP C[N@H+]1CC[C@H]([NH3+])[C@H]1C(C)(C)C 107273843 573466083 /nfs/dbraw/zinc/46/60/83/573466083.db2.gz CEMLQJBQRDBBKU-YUMQZZPRSA-N 2 1 156.273 1.064 20 0 ADADMP C[N@H+]1CC[C@@H]([NH3+])[C@H]1C(C)(C)C 107273838 573466982 /nfs/dbraw/zinc/46/69/82/573466982.db2.gz CEMLQJBQRDBBKU-SFYZADRCSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@@H]([NH2+]Cc1c[nH]cn1)c1ccc[nH]1 308624874 573569445 /nfs/dbraw/zinc/56/94/45/573569445.db2.gz VMOVYCMRUUFLIE-MRVPVSSYSA-N 2 1 190.250 1.589 20 0 ADADMP CS[C@@H]1CC[C@@H]([N@H+](C)CC[NH3+])C1 393540791 573603928 /nfs/dbraw/zinc/60/39/28/573603928.db2.gz XSXJYGLQZSKHAU-RKDXNWHRSA-N 2 1 188.340 1.161 20 0 ADADMP CS[C@@H]1CC[C@@H]([N@@H+](C)CC[NH3+])C1 393540791 573603931 /nfs/dbraw/zinc/60/39/31/573603931.db2.gz XSXJYGLQZSKHAU-RKDXNWHRSA-N 2 1 188.340 1.161 20 0 ADADMP CS[C@H]1CC[C@H]([N@H+](C)CC[NH3+])C1 393540790 573604167 /nfs/dbraw/zinc/60/41/67/573604167.db2.gz XSXJYGLQZSKHAU-IUCAKERBSA-N 2 1 188.340 1.161 20 0 ADADMP CS[C@H]1CC[C@H]([N@@H+](C)CC[NH3+])C1 393540790 573604172 /nfs/dbraw/zinc/60/41/72/573604172.db2.gz XSXJYGLQZSKHAU-IUCAKERBSA-N 2 1 188.340 1.161 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]Cc1cccs1 83758660 573623191 /nfs/dbraw/zinc/62/31/91/573623191.db2.gz XNNNWTNWYYUPLJ-ZETCQYMHSA-N 2 1 170.281 1.185 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1CCCCC1 83760183 573624851 /nfs/dbraw/zinc/62/48/51/573624851.db2.gz BKFWZZRDUKASOU-QMMMGPOBSA-N 2 1 156.273 1.256 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1CCCCCC1 83758524 573626408 /nfs/dbraw/zinc/62/64/08/573626408.db2.gz ROUARMCVYXPEEH-VIFPVBQESA-N 2 1 170.300 1.646 20 0 ADADMP Cc1ccccc1C[NH2+]CC1([NH3+])CC1 259154298 573666804 /nfs/dbraw/zinc/66/68/04/573666804.db2.gz SOHZDJCEMPNCHN-UHFFFAOYSA-N 2 1 190.290 1.576 20 0 ADADMP CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 233486821 573667738 /nfs/dbraw/zinc/66/77/38/573667738.db2.gz NDXGZJHPPZTOPV-ZJUUUORDSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@@H]1[NH3+] 86886550 573675259 /nfs/dbraw/zinc/67/52/59/573675259.db2.gz QGKSGULOIJCEQY-DTBGECHCSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@@H]1[NH3+] 86886550 573675267 /nfs/dbraw/zinc/67/52/67/573675267.db2.gz QGKSGULOIJCEQY-DTBGECHCSA-N 2 1 188.702 1.408 20 0 ADADMP C1CC1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 686248730 573677830 /nfs/dbraw/zinc/67/78/30/573677830.db2.gz RBSTXGKBOAFFMO-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C1CC1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 686248730 573677837 /nfs/dbraw/zinc/67/78/37/573677837.db2.gz RBSTXGKBOAFFMO-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP [NH3+]C1(C[NH2+]C2CCCC2)CC1 83836951 573680350 /nfs/dbraw/zinc/68/03/50/573680350.db2.gz BFLLAJDUJZSHMT-UHFFFAOYSA-N 2 1 154.257 1.010 20 0 ADADMP [NH3+]C1(C[NH2+]C2CCCCC2)CC1 83836933 573680726 /nfs/dbraw/zinc/68/07/26/573680726.db2.gz MLKPEQXLRYGEJA-UHFFFAOYSA-N 2 1 168.284 1.400 20 0 ADADMP CCc1cc(N[C@@H](C)C[NH3+])nc(C)[nH+]1 84082147 573764684 /nfs/dbraw/zinc/76/46/84/573764684.db2.gz VOJKBGXRCFZDJK-ZETCQYMHSA-N 2 1 194.282 1.107 20 0 ADADMP CC(C)CCC[NH2+]CC1([NH3+])CC1 259208194 573841559 /nfs/dbraw/zinc/84/15/59/573841559.db2.gz XAOCJTXBDLUBAW-UHFFFAOYSA-N 2 1 170.300 1.504 20 0 ADADMP CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 393570157 573907780 /nfs/dbraw/zinc/90/77/80/573907780.db2.gz VRJJZBISEUVSGG-ZETCQYMHSA-N 2 1 192.253 1.453 20 0 ADADMP CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 393570157 573907785 /nfs/dbraw/zinc/90/77/85/573907785.db2.gz VRJJZBISEUVSGG-ZETCQYMHSA-N 2 1 192.253 1.453 20 0 ADADMP C[NH2+]CC[N@H+](C)CC1CCCC1 42011361 573912618 /nfs/dbraw/zinc/91/26/18/573912618.db2.gz LZUCHERFJISZBX-UHFFFAOYSA-N 2 1 170.300 1.328 20 0 ADADMP C[NH2+]CC[N@@H+](C)CC1CCCC1 42011361 573912624 /nfs/dbraw/zinc/91/26/24/573912624.db2.gz LZUCHERFJISZBX-UHFFFAOYSA-N 2 1 170.300 1.328 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C 242498681 573950055 /nfs/dbraw/zinc/95/00/55/573950055.db2.gz HNHRRIHQGLYAAT-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@H+]1CCC[C@]12CCC[NH2+]C2 211348121 573958563 /nfs/dbraw/zinc/95/85/63/573958563.db2.gz WKESJZPYHSLCQU-JTQLQIEISA-N 2 1 168.284 1.224 20 0 ADADMP CCCCC[C@H](C)[NH2+]CC[NH2+]C 42574030 573982440 /nfs/dbraw/zinc/98/24/40/573982440.db2.gz PTXXFXOMGVENET-JTQLQIEISA-N 2 1 172.316 1.764 20 0 ADADMP CCCCC[C@@H](C)[NH2+]CC[NH2+]C 42574028 573985749 /nfs/dbraw/zinc/98/57/49/573985749.db2.gz PTXXFXOMGVENET-SNVBAGLBSA-N 2 1 172.316 1.764 20 0 ADADMP Cc1ncc(C[NH2+]C2CC([NH3+])C2)s1 87651735 573997417 /nfs/dbraw/zinc/99/74/17/573997417.db2.gz LWBMWYBFWXMKFG-UHFFFAOYSA-N 2 1 197.307 1.031 20 0 ADADMP Cc1ncsc1C[NH2+]C1CC([NH3+])C1 87651936 573997096 /nfs/dbraw/zinc/99/70/96/573997096.db2.gz XJECCEYWYLHRPT-UHFFFAOYSA-N 2 1 197.307 1.031 20 0 ADADMP C[N@@H+](CCF)C1CCC([NH3+])CC1 87774082 574028983 /nfs/dbraw/zinc/02/89/83/574028983.db2.gz CYRRTZDAURWVMN-UHFFFAOYSA-N 2 1 174.263 1.158 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCF)C1 87774038 574028653 /nfs/dbraw/zinc/02/86/53/574028653.db2.gz YLEKLKHOIKZCIJ-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCF)C1 87774038 574028654 /nfs/dbraw/zinc/02/86/54/574028654.db2.gz YLEKLKHOIKZCIJ-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP CCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 11891835 486710240 /nfs/dbraw/zinc/71/02/40/486710240.db2.gz TWGQMXGKPWPGOO-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H](C[NH3+])C1 11891459 486710325 /nfs/dbraw/zinc/71/03/25/486710325.db2.gz QEQPZFZVTCDHIM-SNVBAGLBSA-N 2 1 170.300 1.313 20 0 ADADMP CCCCC[N@H+]1CC[C@H](C[NH3+])C1 11891466 486710360 /nfs/dbraw/zinc/71/03/60/486710360.db2.gz YTWRYTKAYOHREO-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP CCC[N@H+]1CCC[C@H](C[NH2+]C)C1 11888627 486710429 /nfs/dbraw/zinc/71/04/29/486710429.db2.gz GXBKIKBRCKREBJ-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 11888625 486710397 /nfs/dbraw/zinc/71/03/97/486710397.db2.gz GXBKIKBRCKREBJ-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H](C[NH3+])C1 11891456 486710662 /nfs/dbraw/zinc/71/06/62/486710662.db2.gz QEQPZFZVTCDHIM-JTQLQIEISA-N 2 1 170.300 1.313 20 0 ADADMP CCCCC[N@H+]1CC[C@@H](C[NH3+])C1 11891463 486710699 /nfs/dbraw/zinc/71/06/99/486710699.db2.gz YTWRYTKAYOHREO-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP CCCCC[N@H+]1CC[C@H](C[NH2+]C)C1 11892106 486711045 /nfs/dbraw/zinc/71/10/45/486711045.db2.gz MEEBSCVMUCPBHH-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CCCC[N@H+]1CC[C@H](C[NH2+]C)C1 11891843 486711079 /nfs/dbraw/zinc/71/10/79/486711079.db2.gz TWGQMXGKPWPGOO-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP C[N@@H+](CCC[NH3+])CC1CCCCC1 19834775 486712981 /nfs/dbraw/zinc/71/29/81/486712981.db2.gz ABPBYBJABPOYNF-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP CCCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 11892102 486711350 /nfs/dbraw/zinc/71/13/50/486711350.db2.gz MEEBSCVMUCPBHH-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP Cc1ccccc1C[N@@H+](C)CCC[NH3+] 19834715 486712755 /nfs/dbraw/zinc/71/27/55/486712755.db2.gz MUJVVCUYXSOFAF-UHFFFAOYSA-N 2 1 192.306 1.776 20 0 ADADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cc1 19834704 486712893 /nfs/dbraw/zinc/71/28/93/486712893.db2.gz FQSTUMPHRSYJFK-UHFFFAOYSA-N 2 1 192.306 1.776 20 0 ADADMP CCCCC[N@@H+]1CCC[C@@H]1C[NH3+] 19843272 486712944 /nfs/dbraw/zinc/71/29/44/486712944.db2.gz ZZKVXHWYCZZSLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCCCC[N@H+]1CCC[C@@H]1C[NH3+] 19843272 486712947 /nfs/dbraw/zinc/71/29/47/486712947.db2.gz ZZKVXHWYCZZSLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CC(C)CC[N@@H+](C)CCC[NH3+] 19834737 486713210 /nfs/dbraw/zinc/71/32/10/486713210.db2.gz XCERKVZFJVGRMP-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP Cc1cccc(C[N@@H+](C)CCC[NH3+])c1 19834710 486713280 /nfs/dbraw/zinc/71/32/80/486713280.db2.gz BHQDRZVQGGFFCF-UHFFFAOYSA-N 2 1 192.306 1.776 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1cccc(F)c1 19834690 486713342 /nfs/dbraw/zinc/71/33/42/486713342.db2.gz HEGSYTQXVSXOJC-UHFFFAOYSA-N 2 1 196.269 1.606 20 0 ADADMP CCCC[N@@H+]1CCC[C@@H]1C[NH3+] 19843284 486713407 /nfs/dbraw/zinc/71/34/07/486713407.db2.gz VRKXUSCKISXSIH-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP CCCC[N@H+]1CCC[C@@H]1C[NH3+] 19843284 486713410 /nfs/dbraw/zinc/71/34/10/486713410.db2.gz VRKXUSCKISXSIH-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1ccc(F)cc1 19834708 486713462 /nfs/dbraw/zinc/71/34/62/486713462.db2.gz NAFPBKXVRLRNIT-UHFFFAOYSA-N 2 1 196.269 1.606 20 0 ADADMP CCCCC[N@@H+](C)CCC[NH3+] 19834742 486713472 /nfs/dbraw/zinc/71/34/72/486713472.db2.gz IYORFDMJPMUUQE-UHFFFAOYSA-N 2 1 158.289 1.457 20 0 ADADMP CC[C@H](C)[N@@H+](C)CCC[NH3+] 20217312 486713914 /nfs/dbraw/zinc/71/39/14/486713914.db2.gz KYBJTNXNGKCCHP-QMMMGPOBSA-N 2 1 144.262 1.066 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CCC[NH3+] 20217311 486714313 /nfs/dbraw/zinc/71/43/13/486714313.db2.gz KYBJTNXNGKCCHP-MRVPVSSYSA-N 2 1 144.262 1.066 20 0 ADADMP C[N@H+](CCC[NH3+])Cc1ccsc1 35719246 486716349 /nfs/dbraw/zinc/71/63/49/486716349.db2.gz RJRLABGANIPRLB-UHFFFAOYSA-N 2 1 184.308 1.529 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1ccsc1 35719246 486716352 /nfs/dbraw/zinc/71/63/52/486716352.db2.gz RJRLABGANIPRLB-UHFFFAOYSA-N 2 1 184.308 1.529 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1cccs1 35717546 486716477 /nfs/dbraw/zinc/71/64/77/486716477.db2.gz XLNJCXHXGRNQQF-UHFFFAOYSA-N 2 1 184.308 1.529 20 0 ADADMP CCCC[N@@H+](CCC[NH3+])C1CC1 36732067 486716910 /nfs/dbraw/zinc/71/69/10/486716910.db2.gz SEGAQSOHVBHVRD-UHFFFAOYSA-N 2 1 170.300 1.600 20 0 ADADMP CC(C)[N@@H+](CCC[NH3+])C1CC1 36732086 486717193 /nfs/dbraw/zinc/71/71/93/486717193.db2.gz GUDSKGNJENPVCC-UHFFFAOYSA-N 2 1 156.273 1.208 20 0 ADADMP CC[N@H+](CCC[NH3+])Cc1ccccn1 36731796 486717233 /nfs/dbraw/zinc/71/72/33/486717233.db2.gz ZDTFPQMODGUFQN-UHFFFAOYSA-N 2 1 193.294 1.252 20 0 ADADMP CC[N@@H+](CCC[NH3+])Cc1ccccn1 36731796 486717237 /nfs/dbraw/zinc/71/72/37/486717237.db2.gz ZDTFPQMODGUFQN-UHFFFAOYSA-N 2 1 193.294 1.252 20 0 ADADMP CC[C@H]1CCC[N@@H+](CCC[NH3+])C1 36169009 486717265 /nfs/dbraw/zinc/71/72/65/486717265.db2.gz YNYOZJSNZYOCHS-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP CC[C@@H]1CCC[N@@H+](CCC[NH3+])C1 36169008 486717363 /nfs/dbraw/zinc/71/73/63/486717363.db2.gz YNYOZJSNZYOCHS-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP [NH3+]CCC[N@H+](C1CCCC1)C1CC1 36732087 486717445 /nfs/dbraw/zinc/71/74/45/486717445.db2.gz UYYQVOUSNCHUST-UHFFFAOYSA-N 2 1 182.311 1.742 20 0 ADADMP CCC[C@@H](C)[N@@H+](C)CCC[NH3+] 36790044 486717733 /nfs/dbraw/zinc/71/77/33/486717733.db2.gz WDFSYAFXFOICQK-SECBINFHSA-N 2 1 158.289 1.456 20 0 ADADMP CCC[N@@H+](CC)CCC[NH3+] 36883444 486717759 /nfs/dbraw/zinc/71/77/59/486717759.db2.gz AYCHCUJFVCOBMJ-UHFFFAOYSA-N 2 1 144.262 1.067 20 0 ADADMP CCC[N@@H+](CC1CC[NH2+]CC1)C1CC1 37097484 486717810 /nfs/dbraw/zinc/71/78/10/486717810.db2.gz AMCIKUQSKKQIDN-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H](C1CC1)[N@@H+](C)CCC[NH3+] 36783194 486718065 /nfs/dbraw/zinc/71/80/65/486718065.db2.gz IBIFSONMKAEGAP-MRVPVSSYSA-N 2 1 156.273 1.066 20 0 ADADMP CC[N@@H+](CCC[NH3+])CC(C)C 36883443 486718022 /nfs/dbraw/zinc/71/80/22/486718022.db2.gz WKRUSBVTKPHBIS-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP CC(C)[N@@H+](CCC[NH3+])CC1CC1 36765321 486718096 /nfs/dbraw/zinc/71/80/96/486718096.db2.gz NQQSYRUDNFQIJC-UHFFFAOYSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)C[N@@H+](CCC[NH3+])C1CC1 36883463 486718140 /nfs/dbraw/zinc/71/81/40/486718140.db2.gz REJBTMBGEWGZCR-UHFFFAOYSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[C@H](C)[N@@H+](C)CCC[NH3+] 36790045 486718165 /nfs/dbraw/zinc/71/81/65/486718165.db2.gz WDFSYAFXFOICQK-VIFPVBQESA-N 2 1 158.289 1.456 20 0 ADADMP CCC[N@@H+](CCC[NH3+])C1CC1 36883466 486718228 /nfs/dbraw/zinc/71/82/28/486718228.db2.gz DMDMZPAMHHXMNJ-UHFFFAOYSA-N 2 1 156.273 1.210 20 0 ADADMP CC(C)CC[N@@H+](CCC[NH3+])C1CC1 36883462 486718243 /nfs/dbraw/zinc/71/82/43/486718243.db2.gz XIYNZFITNHKSBA-UHFFFAOYSA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@@H+](CCC[NH3+])CC1CC1 36765320 486718303 /nfs/dbraw/zinc/71/83/03/486718303.db2.gz XCBSOAOPRRDBJS-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)CCC[NH3+] 36786670 486718348 /nfs/dbraw/zinc/71/83/48/486718348.db2.gz SCOFUSYMHMJPSG-VIFPVBQESA-N 2 1 158.289 1.312 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)CCC[NH3+] 36786669 486718506 /nfs/dbraw/zinc/71/85/06/486718506.db2.gz SCOFUSYMHMJPSG-SECBINFHSA-N 2 1 158.289 1.312 20 0 ADADMP C[C@@H](C1CC1)[N@@H+](C)CCC[NH3+] 36783193 486718510 /nfs/dbraw/zinc/71/85/10/486718510.db2.gz IBIFSONMKAEGAP-QMMMGPOBSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CCC[NH3+] 37172423 486719111 /nfs/dbraw/zinc/71/91/11/486719111.db2.gz CMELUHNBDDKUMZ-VIFPVBQESA-N 2 1 158.289 1.313 20 0 ADADMP CCC[NH2+]C1CC[NH+](C2CC2)CC1 37241633 486719434 /nfs/dbraw/zinc/71/94/34/486719434.db2.gz ICZJGXNIZIDKKQ-UHFFFAOYSA-N 2 1 182.311 1.613 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CCC[NH3+] 37172422 486719481 /nfs/dbraw/zinc/71/94/81/486719481.db2.gz CMELUHNBDDKUMZ-SECBINFHSA-N 2 1 158.289 1.313 20 0 ADADMP CC(C)[NH2+]CCCC[N@@H+](C)C1CC1 37482932 486719866 /nfs/dbraw/zinc/71/98/66/486719866.db2.gz VLKMZHQDILLEEJ-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP C[N@@H+](CCC[NH3+])CC1CCCC1 42011093 486723965 /nfs/dbraw/zinc/72/39/65/486723965.db2.gz QXMDHOAEKLTJAE-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1cccs1 40926053 486724422 /nfs/dbraw/zinc/72/44/22/486724422.db2.gz CHIBEHVMKHUNMB-UHFFFAOYSA-N 2 1 184.308 1.575 20 0 ADADMP CC[N@@H+](CCC[NH2+]C)CC(C)C 42409475 486724684 /nfs/dbraw/zinc/72/46/84/486724684.db2.gz JGGSKUSCGNASLE-UHFFFAOYSA-N 2 1 172.316 1.574 20 0 ADADMP CC(C)C[N@H+](C)CC[NH2+]C(C)(C)C 42409522 486724734 /nfs/dbraw/zinc/72/47/34/486724734.db2.gz SAXXJOOKDRMFBO-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP CC(C)C[N@@H+](C)CC[NH2+]C(C)(C)C 42409522 486724739 /nfs/dbraw/zinc/72/47/39/486724739.db2.gz SAXXJOOKDRMFBO-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP C[NH2+]CCC[N@H+](C)Cc1cccs1 42409556 486724757 /nfs/dbraw/zinc/72/47/57/486724757.db2.gz FNJSAMXNFWZUOI-UHFFFAOYSA-N 2 1 198.335 1.789 20 0 ADADMP C[NH2+]CCC[N@@H+](C)Cc1cccs1 42409556 486724764 /nfs/dbraw/zinc/72/47/64/486724764.db2.gz FNJSAMXNFWZUOI-UHFFFAOYSA-N 2 1 198.335 1.789 20 0 ADADMP CCC[N@@H+](CC)CCC[NH2+]C 42409507 486724828 /nfs/dbraw/zinc/72/48/28/486724828.db2.gz NYLXWEPRFOKXAM-UHFFFAOYSA-N 2 1 158.289 1.328 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@H](C)C(C)C 42409632 486724860 /nfs/dbraw/zinc/72/48/60/486724860.db2.gz NHJMGSREYJMRFV-SNVBAGLBSA-N 2 1 172.316 1.572 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(C)C 42409633 486724957 /nfs/dbraw/zinc/72/49/57/486724957.db2.gz NHJMGSREYJMRFV-JTQLQIEISA-N 2 1 172.316 1.572 20 0 ADADMP C[NH2+]CCC[N@H+]1[C@@H](C)CCC[C@H]1C 42409320 486725006 /nfs/dbraw/zinc/72/50/06/486725006.db2.gz UTQJTOOEIZYMOC-PHIMTYICSA-N 2 1 184.327 1.859 20 0 ADADMP CCCCC[N@@H+](C)CCC[NH2+]C 42409531 486725030 /nfs/dbraw/zinc/72/50/30/486725030.db2.gz QEOJWGPRCKZCIZ-UHFFFAOYSA-N 2 1 172.316 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@@H](C)C[C@@H](C)C1 42409260 486725092 /nfs/dbraw/zinc/72/50/92/486725092.db2.gz YMWHGWMLGXZBSA-PHIMTYICSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CCC[NH2+]C 42409526 486725232 /nfs/dbraw/zinc/72/52/32/486725232.db2.gz LOKYZYGQWXZKGG-JTQLQIEISA-N 2 1 172.316 1.574 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C1CCCC1 42409488 486725249 /nfs/dbraw/zinc/72/52/49/486725249.db2.gz PXVQCFPGPMYQLD-UHFFFAOYSA-N 2 1 170.300 1.470 20 0 ADADMP CC[N@@H+](CCC[NH2+]C)C1CC1 42409495 486725438 /nfs/dbraw/zinc/72/54/38/486725438.db2.gz KXSAVLMPALEUHF-UHFFFAOYSA-N 2 1 156.273 1.080 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CCC[NH2+]C 42409525 486725475 /nfs/dbraw/zinc/72/54/75/486725475.db2.gz LOKYZYGQWXZKGG-SNVBAGLBSA-N 2 1 172.316 1.574 20 0 ADADMP CC[C@H]1CCC[N@@H+](CCC[NH2+]C)C1 42409610 486725498 /nfs/dbraw/zinc/72/54/98/486725498.db2.gz CRDWVLGPCHYHDN-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CCCC[N@@H+](C)CCC[NH2+]C 42409361 486725528 /nfs/dbraw/zinc/72/55/28/486725528.db2.gz SXWJIMGCACRJFH-UHFFFAOYSA-N 2 1 158.289 1.328 20 0 ADADMP C[NH2+]CCCn1cc[nH+]c1C(C)C 42410219 486725631 /nfs/dbraw/zinc/72/56/31/486725631.db2.gz AOFXUXZDTFGXAC-UHFFFAOYSA-N 2 1 181.283 1.616 20 0 ADADMP CC[C@H]1CCCC[N@H+]1CCC[NH2+]C 42409492 486725739 /nfs/dbraw/zinc/72/57/39/486725739.db2.gz JLXYCVZSEQQJAP-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CC[C@@H]1CCC[N@@H+](CCC[NH2+]C)C1 42409609 486725824 /nfs/dbraw/zinc/72/58/24/486725824.db2.gz CRDWVLGPCHYHDN-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)C1 42409217 486725918 /nfs/dbraw/zinc/72/59/18/486725918.db2.gz SJTWXQFSHHFCGI-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1C 42409130 486725938 /nfs/dbraw/zinc/72/59/38/486725938.db2.gz XZENLSOBCOTUCW-VIFPVBQESA-N 2 1 156.273 1.080 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)C1 42409216 486725963 /nfs/dbraw/zinc/72/59/63/486725963.db2.gz SJTWXQFSHHFCGI-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CC[C@H](C)[N@@H+](CC)CCC[NH2+]C 42409468 486726018 /nfs/dbraw/zinc/72/60/18/486726018.db2.gz UMJXRWCOCMHPTI-JTQLQIEISA-N 2 1 172.316 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+](CC)CCC[NH2+]C 42409467 486726062 /nfs/dbraw/zinc/72/60/62/486726062.db2.gz UMJXRWCOCMHPTI-SNVBAGLBSA-N 2 1 172.316 1.716 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 43324281 486726571 /nfs/dbraw/zinc/72/65/71/486726571.db2.gz IPICRSWYINIDAS-QJPTWQEYSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 43324275 486727022 /nfs/dbraw/zinc/72/70/22/486727022.db2.gz IPICRSWYINIDAS-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)CCC[NH2+][C@H]1CCC[NH2+]C1 43327413 486727063 /nfs/dbraw/zinc/72/70/63/486727063.db2.gz JPWLUWMQRFCOLN-NSHDSACASA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)CCC[NH2+][C@@H]1CCC[NH2+]C1 43327412 486727089 /nfs/dbraw/zinc/72/70/89/486727089.db2.gz JPWLUWMQRFCOLN-LLVKDONJSA-N 2 1 184.327 1.764 20 0 ADADMP C[C@H]([N@@H+](C)CCC[NH3+])C(C)(C)C 42739334 486727325 /nfs/dbraw/zinc/72/73/25/486727325.db2.gz CJNJSZJDGTWRQT-VIFPVBQESA-N 2 1 172.316 1.702 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 43324279 486727400 /nfs/dbraw/zinc/72/74/00/486727400.db2.gz IPICRSWYINIDAS-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 43324277 486727562 /nfs/dbraw/zinc/72/75/62/486727562.db2.gz IPICRSWYINIDAS-TUAOUCFPSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 44418939 486728425 /nfs/dbraw/zinc/72/84/25/486728425.db2.gz QHFCGKCXVKEOFK-QJPTWQEYSA-N 2 1 196.338 1.907 20 0 ADADMP CC[NH2+]CC[NH2+]CC(C)(C)C 44651734 486729221 /nfs/dbraw/zinc/72/92/21/486729221.db2.gz OIXFFYYLZOBTIQ-UHFFFAOYSA-N 2 1 158.289 1.232 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 44418933 486728864 /nfs/dbraw/zinc/72/88/64/486728864.db2.gz QHFCGKCXVKEOFK-SDDRHHMPSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 44534416 486729859 /nfs/dbraw/zinc/72/98/59/486729859.db2.gz CTNPFJGVZDWSDH-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CC(C)(C)C 45086616 486729965 /nfs/dbraw/zinc/72/99/65/486729965.db2.gz ZMHGCOLJKIRNDQ-UHFFFAOYSA-N 2 1 172.316 1.574 20 0 ADADMP C[N@@H+](CCC[NH3+])CC(C)(C)C 45068558 486730028 /nfs/dbraw/zinc/73/00/28/486730028.db2.gz LGNSQJGNOQVUDM-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 44534420 486730061 /nfs/dbraw/zinc/73/00/61/486730061.db2.gz CTNPFJGVZDWSDH-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C(C)C 49330024 486731830 /nfs/dbraw/zinc/73/18/30/486731830.db2.gz ZUKBNVWSYWLBKD-SNVBAGLBSA-N 2 1 195.310 1.826 20 0 ADADMP CC[C@H](C)[NH2+]CCn1cc[nH+]c1C 49329683 486731971 /nfs/dbraw/zinc/73/19/71/486731971.db2.gz VOAOIXBYHKNDMX-VIFPVBQESA-N 2 1 181.283 1.580 20 0 ADADMP C[N@H+](CC[NH3+])CCC(C)(C)C 49254476 486732023 /nfs/dbraw/zinc/73/20/23/486732023.db2.gz AEFBPZQSRSCMLB-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP C[N@@H+](CC[NH3+])CCC(C)(C)C 49254476 486732026 /nfs/dbraw/zinc/73/20/26/486732026.db2.gz AEFBPZQSRSCMLB-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]CC(C)C 49329685 486732096 /nfs/dbraw/zinc/73/20/96/486732096.db2.gz WACULACVKXINLJ-UHFFFAOYSA-N 2 1 181.283 1.437 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C1CC1 49330113 486732169 /nfs/dbraw/zinc/73/21/69/486732169.db2.gz NCKGZITWFSIYAU-VIFPVBQESA-N 2 1 193.294 1.580 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)C1CC1 49330115 486732443 /nfs/dbraw/zinc/73/24/43/486732443.db2.gz NCKGZITWFSIYAU-SECBINFHSA-N 2 1 193.294 1.580 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)C(C)C 49330022 486732488 /nfs/dbraw/zinc/73/24/88/486732488.db2.gz ZUKBNVWSYWLBKD-JTQLQIEISA-N 2 1 195.310 1.826 20 0 ADADMP CC[C@@H](C)[NH2+]CCn1cc[nH+]c1C 49329681 486732530 /nfs/dbraw/zinc/73/25/30/486732530.db2.gz VOAOIXBYHKNDMX-SECBINFHSA-N 2 1 181.283 1.580 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709020 486733077 /nfs/dbraw/zinc/73/30/77/486733077.db2.gz YELRQGPVINRMSI-VHSXEESVSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49709022 486733095 /nfs/dbraw/zinc/73/30/95/486733095.db2.gz YELRQGPVINRMSI-ZJUUUORDSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC1 49710572 486733114 /nfs/dbraw/zinc/73/31/14/486733114.db2.gz ZINOPXVXCYNGCP-MWLCHTKSSA-N 2 1 182.311 1.598 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49707359 486733206 /nfs/dbraw/zinc/73/32/06/486733206.db2.gz AKXOAWYTFGSQOM-UWVGGRQHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49707828 486733246 /nfs/dbraw/zinc/73/32/46/486733246.db2.gz YZGVPLUWPCLUHP-WDEREUQCSA-N 2 1 184.327 1.988 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49709123 486733284 /nfs/dbraw/zinc/73/32/84/486733284.db2.gz IMRISIRTRUCIJC-IUCAKERBSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49707360 486733335 /nfs/dbraw/zinc/73/33/35/486733335.db2.gz AKXOAWYTFGSQOM-VHSXEESVSA-N 2 1 170.300 1.598 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49709018 486733358 /nfs/dbraw/zinc/73/33/58/486733358.db2.gz YELRQGPVINRMSI-NXEZZACHSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC1 49710575 486733395 /nfs/dbraw/zinc/73/33/95/486733395.db2.gz ZINOPXVXCYNGCP-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 49707385 486733436 /nfs/dbraw/zinc/73/34/36/486733436.db2.gz AIRGZHFEZSOVIM-MNOVXSKESA-N 2 1 184.327 1.844 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49707827 486733511 /nfs/dbraw/zinc/73/35/11/486733511.db2.gz YZGVPLUWPCLUHP-QWRGUYRKSA-N 2 1 184.327 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC1 49710577 486733554 /nfs/dbraw/zinc/73/35/54/486733554.db2.gz ZINOPXVXCYNGCP-KOLCDFICSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49707387 486733706 /nfs/dbraw/zinc/73/37/06/486733706.db2.gz AIRGZHFEZSOVIM-QWRGUYRKSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC1 49694108 486733740 /nfs/dbraw/zinc/73/37/40/486733740.db2.gz QXUYIOUXPSNHLJ-WCBMZHEXSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCCC1 49710680 486733820 /nfs/dbraw/zinc/73/38/20/486733820.db2.gz LDNGDKXUIMOHDE-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC1 49694110 486733846 /nfs/dbraw/zinc/73/38/46/486733846.db2.gz QXUYIOUXPSNHLJ-WPRPVWTQSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC1 49694107 486733874 /nfs/dbraw/zinc/73/38/74/486733874.db2.gz QXUYIOUXPSNHLJ-PSASIEDQSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC1 49694109 486734009 /nfs/dbraw/zinc/73/40/09/486734009.db2.gz QXUYIOUXPSNHLJ-SCZZXKLOSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCCC1 49710685 486734107 /nfs/dbraw/zinc/73/41/07/486734107.db2.gz LDNGDKXUIMOHDE-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 49707383 486734145 /nfs/dbraw/zinc/73/41/45/486734145.db2.gz AIRGZHFEZSOVIM-GHMZBOCLSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC1 49710579 486734173 /nfs/dbraw/zinc/73/41/73/486734173.db2.gz ZINOPXVXCYNGCP-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49707384 486734267 /nfs/dbraw/zinc/73/42/67/486734267.db2.gz AIRGZHFEZSOVIM-WDEREUQCSA-N 2 1 184.327 1.844 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C 49708951 486734373 /nfs/dbraw/zinc/73/43/73/486734373.db2.gz HNHRRIHQGLYAAT-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 49709023 486734385 /nfs/dbraw/zinc/73/43/85/486734385.db2.gz YELRQGPVINRMSI-UWVGGRQHSA-N 2 1 170.300 1.454 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 49709125 486734404 /nfs/dbraw/zinc/73/44/04/486734404.db2.gz IMRISIRTRUCIJC-DTWKUNHWSA-N 2 1 156.273 1.208 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCCC1 49710682 486734469 /nfs/dbraw/zinc/73/44/69/486734469.db2.gz LDNGDKXUIMOHDE-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCCC1 49710678 486734504 /nfs/dbraw/zinc/73/45/04/486734504.db2.gz LDNGDKXUIMOHDE-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[N@@H+](CCC[NH3+])CCc1cccs1 49811912 486735063 /nfs/dbraw/zinc/73/50/63/486735063.db2.gz DXPVZLDMQBCJJX-UHFFFAOYSA-N 2 1 198.335 1.571 20 0 ADADMP CC(C)OCCC[N@@H+](C)CCC[NH3+] 49806342 486735564 /nfs/dbraw/zinc/73/55/64/486735564.db2.gz ZSOXGPTZWMOATL-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C(C)C 50271029 486735986 /nfs/dbraw/zinc/73/59/86/486735986.db2.gz RXLQZPGIGZWBLP-SECBINFHSA-N 2 1 158.289 1.502 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+]C(C)C 50271028 486736051 /nfs/dbraw/zinc/73/60/51/486736051.db2.gz RXLQZPGIGZWBLP-VIFPVBQESA-N 2 1 158.289 1.502 20 0 ADADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])s1 50226784 486736126 /nfs/dbraw/zinc/73/61/26/486736126.db2.gz JWLFATVSYMNPOK-UHFFFAOYSA-N 2 1 198.335 1.883 20 0 ADADMP CC(C)[NH2+][C@@H](C[NH3+])C1CCCCC1 50270905 486736659 /nfs/dbraw/zinc/73/66/59/486736659.db2.gz JDUCQCSCLGBWPG-NSHDSACASA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)s1 50226812 486736734 /nfs/dbraw/zinc/73/67/34/486736734.db2.gz GPYOBCDCJPSZLW-VIFPVBQESA-N 2 1 198.335 1.883 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+]C(C)C 50270892 486736722 /nfs/dbraw/zinc/73/67/22/486736722.db2.gz QHOKSPHGXSVVEZ-VIFPVBQESA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)s1 50226813 486736884 /nfs/dbraw/zinc/73/68/84/486736884.db2.gz GPYOBCDCJPSZLW-SECBINFHSA-N 2 1 198.335 1.883 20 0 ADADMP CC(C)[NH2+][C@H](C[NH3+])C1CCCCC1 50270906 486737063 /nfs/dbraw/zinc/73/70/63/486737063.db2.gz JDUCQCSCLGBWPG-LLVKDONJSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C(C)C 50270893 486737225 /nfs/dbraw/zinc/73/72/25/486737225.db2.gz QHOKSPHGXSVVEZ-SECBINFHSA-N 2 1 158.289 1.358 20 0 ADADMP CC(C)[NH2+][C@@H](C[NH3+])C1CCCC1 50272450 486737856 /nfs/dbraw/zinc/73/78/56/486737856.db2.gz XOWBILQEHLXWGF-JTQLQIEISA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H](C)C[N@@H+](CC)CCC[NH3+] 50424147 486738222 /nfs/dbraw/zinc/73/82/22/486738222.db2.gz FJSNUIBRZLZRJX-JTQLQIEISA-N 2 1 172.316 1.703 20 0 ADADMP CC(C)[NH2+][C@H](C[NH3+])C1CCCC1 50272451 486738307 /nfs/dbraw/zinc/73/83/07/486738307.db2.gz XOWBILQEHLXWGF-SNVBAGLBSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH3+] 50424145 486738443 /nfs/dbraw/zinc/73/84/43/486738443.db2.gz FJSNUIBRZLZRJX-SNVBAGLBSA-N 2 1 172.316 1.703 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 50887831 486738906 /nfs/dbraw/zinc/73/89/06/486738906.db2.gz LLDZIJIVKXCWAJ-MNOVXSKESA-N 2 1 184.327 1.907 20 0 ADADMP CCCC[C@@H](C)[NH2+]CC[NH2+]C 50890040 486738961 /nfs/dbraw/zinc/73/89/61/486738961.db2.gz JLQGJEBFIDVWIC-SECBINFHSA-N 2 1 158.289 1.374 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 50887829 486738984 /nfs/dbraw/zinc/73/89/84/486738984.db2.gz LLDZIJIVKXCWAJ-GHMZBOCLSA-N 2 1 184.327 1.907 20 0 ADADMP CCCC[C@@H](C)[NH2+]CC[NH2+]CC 50890012 486738991 /nfs/dbraw/zinc/73/89/91/486738991.db2.gz BZFBJGHGSBKOIB-SNVBAGLBSA-N 2 1 172.316 1.764 20 0 ADADMP CCCC[C@H](C)[NH2+]CC[NH2+]C 50890041 486739028 /nfs/dbraw/zinc/73/90/28/486739028.db2.gz JLQGJEBFIDVWIC-VIFPVBQESA-N 2 1 158.289 1.374 20 0 ADADMP CCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 50887830 486739067 /nfs/dbraw/zinc/73/90/67/486739067.db2.gz LLDZIJIVKXCWAJ-WDEREUQCSA-N 2 1 184.327 1.907 20 0 ADADMP CCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 50887832 486739091 /nfs/dbraw/zinc/73/90/91/486739091.db2.gz LLDZIJIVKXCWAJ-QWRGUYRKSA-N 2 1 184.327 1.907 20 0 ADADMP CCCC[C@H](C)[NH2+]CC[NH2+]CC 50890013 486739323 /nfs/dbraw/zinc/73/93/23/486739323.db2.gz BZFBJGHGSBKOIB-JTQLQIEISA-N 2 1 172.316 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)C1 53387910 486749042 /nfs/dbraw/zinc/74/90/42/486749042.db2.gz XKTOKVCPAOLYDM-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889507 486742274 /nfs/dbraw/zinc/74/22/74/486742274.db2.gz HXITZCFLOQHYOR-WDEREUQCSA-N 2 1 184.327 1.572 20 0 ADADMP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 51889662 486742314 /nfs/dbraw/zinc/74/23/14/486742314.db2.gz USYTXJHRLBQFSV-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 51889445 486742334 /nfs/dbraw/zinc/74/23/34/486742334.db2.gz GJQQBTISBRIMLD-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@@H]1CC[NH2+]C1 51889362 486742475 /nfs/dbraw/zinc/74/24/75/486742475.db2.gz WSERZJSKHUMNJW-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H]2CC[NH2+]C2)C1 51889357 486742519 /nfs/dbraw/zinc/74/25/19/486742519.db2.gz MTKSLSCXNJQVDC-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889468 486742544 /nfs/dbraw/zinc/74/25/44/486742544.db2.gz RWKOBOBUPWHJHT-GHMZBOCLSA-N 2 1 184.327 1.574 20 0 ADADMP CCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 51889438 486742578 /nfs/dbraw/zinc/74/25/78/486742578.db2.gz UGWJSIBEIRXJAI-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCCC1 51889434 486742634 /nfs/dbraw/zinc/74/26/34/486742634.db2.gz ZNNQPAHOBFQXBB-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CCC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 51889652 486742650 /nfs/dbraw/zinc/74/26/50/486742650.db2.gz ZJNWHRLPFRDROP-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 51889436 486742701 /nfs/dbraw/zinc/74/27/01/486742701.db2.gz UGWJSIBEIRXJAI-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 51889443 486742753 /nfs/dbraw/zinc/74/27/53/486742753.db2.gz GJQQBTISBRIMLD-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@@H+](CC)C[C@@H]1CC[NH2+]C1 51889310 486742769 /nfs/dbraw/zinc/74/27/69/486742769.db2.gz RAKGXWKVFOQQDF-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889573 486742789 /nfs/dbraw/zinc/74/27/89/486742789.db2.gz CEZFHFKENYLWQB-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@H](C)C1 51890188 486742850 /nfs/dbraw/zinc/74/28/50/486742850.db2.gz CKSPUKSXQGKTNG-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCCC1 51889433 486742865 /nfs/dbraw/zinc/74/28/65/486742865.db2.gz ZNNQPAHOBFQXBB-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889571 486742908 /nfs/dbraw/zinc/74/29/08/486742908.db2.gz CEZFHFKENYLWQB-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889611 486742931 /nfs/dbraw/zinc/74/29/31/486742931.db2.gz FRGFASIKTCIHQQ-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CCCC[N@@H+](CC)C[C@H]1CC[NH2+]C1 51889312 486742994 /nfs/dbraw/zinc/74/29/94/486742994.db2.gz RAKGXWKVFOQQDF-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889450 486743007 /nfs/dbraw/zinc/74/30/07/486743007.db2.gz YESNWVCVEGKTHF-SNVBAGLBSA-N 2 1 170.300 1.184 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@H]1CC[NH2+]C1 51889613 486743023 /nfs/dbraw/zinc/74/30/23/486743023.db2.gz FRGFASIKTCIHQQ-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 51889664 486743059 /nfs/dbraw/zinc/74/30/59/486743059.db2.gz USYTXJHRLBQFSV-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 51889463 486743102 /nfs/dbraw/zinc/74/31/02/486743102.db2.gz VRXLDAVSZIJAPU-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889470 486743140 /nfs/dbraw/zinc/74/31/40/486743140.db2.gz RWKOBOBUPWHJHT-WDEREUQCSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)[N@@H+](CC)C[C@@H]1CC[NH2+]C1 51889461 486743160 /nfs/dbraw/zinc/74/31/60/486743160.db2.gz VRXLDAVSZIJAPU-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 51889452 486743193 /nfs/dbraw/zinc/74/31/93/486743193.db2.gz YESNWVCVEGKTHF-JTQLQIEISA-N 2 1 170.300 1.184 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889505 486743238 /nfs/dbraw/zinc/74/32/38/486743238.db2.gz HXITZCFLOQHYOR-GHMZBOCLSA-N 2 1 184.327 1.572 20 0 ADADMP CC[C@@H](C[NH2+]C(C)C)[NH+]1CCCC1 52377317 486744741 /nfs/dbraw/zinc/74/47/41/486744741.db2.gz LVJHPJOXPHEQEJ-NSHDSACASA-N 2 1 184.327 1.859 20 0 ADADMP CC[C@H](C[NH2+]C(C)C)[NH+]1CCCC1 52377319 486745157 /nfs/dbraw/zinc/74/51/57/486745157.db2.gz LVJHPJOXPHEQEJ-LLVKDONJSA-N 2 1 184.327 1.859 20 0 ADADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)C 52576049 486745879 /nfs/dbraw/zinc/74/58/79/486745879.db2.gz QDYQAJCWYMQBBF-UHFFFAOYSA-N 2 1 195.310 1.970 20 0 ADADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C(C)C 52576306 486745932 /nfs/dbraw/zinc/74/59/32/486745932.db2.gz QDIHUNISOUIXRX-JTQLQIEISA-N 2 1 195.310 1.826 20 0 ADADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C(C)C 52576307 486746031 /nfs/dbraw/zinc/74/60/31/486746031.db2.gz QDIHUNISOUIXRX-SNVBAGLBSA-N 2 1 195.310 1.826 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]CC(C)C 52444015 486746192 /nfs/dbraw/zinc/74/61/92/486746192.db2.gz VUUXTOKFNVOYKV-NSHDSACASA-N 2 1 186.343 1.962 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC(C)C 52444015 486746198 /nfs/dbraw/zinc/74/61/98/486746198.db2.gz VUUXTOKFNVOYKV-NSHDSACASA-N 2 1 186.343 1.962 20 0 ADADMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC(C)C 52444014 486746361 /nfs/dbraw/zinc/74/63/61/486746361.db2.gz VUUXTOKFNVOYKV-LLVKDONJSA-N 2 1 186.343 1.962 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC(C)C 52444014 486746366 /nfs/dbraw/zinc/74/63/66/486746366.db2.gz VUUXTOKFNVOYKV-LLVKDONJSA-N 2 1 186.343 1.962 20 0 ADADMP CCC[N@H+](CC)CC[NH2+]CC(C)C 52448204 486746718 /nfs/dbraw/zinc/74/67/18/486746718.db2.gz WFBGKACJGGDWPD-UHFFFAOYSA-N 2 1 186.343 1.964 20 0 ADADMP CCC[N@@H+](CC)CC[NH2+]CC(C)C 52448204 486746723 /nfs/dbraw/zinc/74/67/23/486746723.db2.gz WFBGKACJGGDWPD-UHFFFAOYSA-N 2 1 186.343 1.964 20 0 ADADMP CCC[N@H+]1CC[C@H](C[NH2+]C(C)C)C1 53012563 486747523 /nfs/dbraw/zinc/74/75/23/486747523.db2.gz NOYFFZAVADHDIN-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[N@H+]1CC[C@@H](C[NH2+]C(C)C)C1 53012564 486747536 /nfs/dbraw/zinc/74/75/36/486747536.db2.gz NOYFFZAVADHDIN-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CCC(C)C 53387836 486748936 /nfs/dbraw/zinc/74/89/36/486748936.db2.gz DVNHOOBWUMTYCL-JTQLQIEISA-N 2 1 172.316 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C 53387737 486748970 /nfs/dbraw/zinc/74/89/70/486748970.db2.gz IOPOXYMCNULSDX-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)C1 53387783 486748984 /nfs/dbraw/zinc/74/89/84/486748984.db2.gz ULWCPGROIDIDKS-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)C1 53387785 486749061 /nfs/dbraw/zinc/74/90/61/486749061.db2.gz ULWCPGROIDIDKS-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+]CCCC(C)C 53387933 486749125 /nfs/dbraw/zinc/74/91/25/486749125.db2.gz FUZSDNIMVBXGMU-UHFFFAOYSA-N 2 1 172.316 1.622 20 0 ADADMP C[NH2+]CC[NH2+]CCCC(C)C 53387802 486749218 /nfs/dbraw/zinc/74/92/18/486749218.db2.gz ROUHZJAWXDMWNN-UHFFFAOYSA-N 2 1 158.289 1.232 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)C1 53387914 486749281 /nfs/dbraw/zinc/74/92/81/486749281.db2.gz XKTOKVCPAOLYDM-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](C)C1 53387780 486749314 /nfs/dbraw/zinc/74/93/14/486749314.db2.gz ULWCPGROIDIDKS-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C 53387868 486749506 /nfs/dbraw/zinc/74/95/06/486749506.db2.gz AJQKNCSOJWZRQJ-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C 53387740 486749578 /nfs/dbraw/zinc/74/95/78/486749578.db2.gz IOPOXYMCNULSDX-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C 53387739 486749620 /nfs/dbraw/zinc/74/96/20/486749620.db2.gz IOPOXYMCNULSDX-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP CCC[C@@H](C)[NH2+]CC[NH2+]CC 53387886 486749719 /nfs/dbraw/zinc/74/97/19/486749719.db2.gz ZAHJREZMPOLYSS-SECBINFHSA-N 2 1 158.289 1.374 20 0 ADADMP CCC[C@H](C)[NH2+]CC[NH2+]CC 53387888 486749749 /nfs/dbraw/zinc/74/97/49/486749749.db2.gz ZAHJREZMPOLYSS-VIFPVBQESA-N 2 1 158.289 1.374 20 0 ADADMP C[NH2+]CC[NH2+]CCC(C)(C)C 53387809 486749763 /nfs/dbraw/zinc/74/97/63/486749763.db2.gz XUPLMBHUTJELQS-UHFFFAOYSA-N 2 1 158.289 1.232 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C 53387735 486749793 /nfs/dbraw/zinc/74/97/93/486749793.db2.gz IOPOXYMCNULSDX-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+]CC1CCCCC1 53387770 486749856 /nfs/dbraw/zinc/74/98/56/486749856.db2.gz SWJMOUGDYBQFBR-UHFFFAOYSA-N 2 1 170.300 1.376 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C 53387870 486749891 /nfs/dbraw/zinc/74/98/91/486749891.db2.gz AJQKNCSOJWZRQJ-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+]CC1CCCCC1 53387902 486749925 /nfs/dbraw/zinc/74/99/25/486749925.db2.gz ASXYSZCWTCLMLM-UHFFFAOYSA-N 2 1 184.327 1.766 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H](C)C1 53387916 486749971 /nfs/dbraw/zinc/74/99/71/486749971.db2.gz XKTOKVCPAOLYDM-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H](C)C1 53387912 486750030 /nfs/dbraw/zinc/75/00/30/486750030.db2.gz XKTOKVCPAOLYDM-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C 53387864 486749807 /nfs/dbraw/zinc/74/98/07/486749807.db2.gz AJQKNCSOJWZRQJ-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+]C1CCC(C)CC1 53387857 486750127 /nfs/dbraw/zinc/75/01/27/486750127.db2.gz PTBHDJKIKNTMGJ-UHFFFAOYSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+]C1CCC(C)CC1 53387727 486750184 /nfs/dbraw/zinc/75/01/84/486750184.db2.gz JXVKAGZKCVUKCB-UHFFFAOYSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+]CCC(C)(C)C 53387940 486750199 /nfs/dbraw/zinc/75/01/99/486750199.db2.gz KBEHWUIIKCNERX-UHFFFAOYSA-N 2 1 172.316 1.622 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C 53387866 486750265 /nfs/dbraw/zinc/75/02/65/486750265.db2.gz AJQKNCSOJWZRQJ-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](C)C1 53387781 486750280 /nfs/dbraw/zinc/75/02/80/486750280.db2.gz ULWCPGROIDIDKS-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CCC(C)C 53387834 486750425 /nfs/dbraw/zinc/75/04/25/486750425.db2.gz DVNHOOBWUMTYCL-SNVBAGLBSA-N 2 1 172.316 1.620 20 0 ADADMP CC[N@H+]1CCC[C@H](C[NH2+]CC(C)C)C1 53657711 486752077 /nfs/dbraw/zinc/75/20/77/486752077.db2.gz FFXBTUFHOXDRJI-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC(C)C)C1 53657715 486752511 /nfs/dbraw/zinc/75/25/11/486752511.db2.gz FFXBTUFHOXDRJI-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 54488667 486757397 /nfs/dbraw/zinc/75/73/97/486757397.db2.gz KNKXFCPZHPKHHN-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H]1CCC[NH2+]C1 54469499 486757475 /nfs/dbraw/zinc/75/74/75/486757475.db2.gz ASJHVUBLKUIZSW-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 54488661 486757521 /nfs/dbraw/zinc/75/75/21/486757521.db2.gz KNKXFCPZHPKHHN-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H](C)C[NH2+][C@H]1CCC[NH2+]C1 54469506 486757614 /nfs/dbraw/zinc/75/76/14/486757614.db2.gz ASJHVUBLKUIZSW-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@H](C)C[NH2+][C@H]1CCC[NH2+]C1 54469509 486757789 /nfs/dbraw/zinc/75/77/89/486757789.db2.gz ASJHVUBLKUIZSW-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[NH2+]1 54488665 486757916 /nfs/dbraw/zinc/75/79/16/486757916.db2.gz KNKXFCPZHPKHHN-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@@H](C)CC 54488618 486757956 /nfs/dbraw/zinc/75/79/56/486757956.db2.gz YIRAMCFLQFTWOQ-VIFPVBQESA-N 2 1 158.289 1.232 20 0 ADADMP CC[C@H](C)C[NH2+]CCn1cc[nH+]c1C 54470235 486758079 /nfs/dbraw/zinc/75/80/79/486758079.db2.gz KZYLZGRMDSYSTP-JTQLQIEISA-N 2 1 195.310 1.827 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@H](C)CC 54488617 486758083 /nfs/dbraw/zinc/75/80/83/486758083.db2.gz YIRAMCFLQFTWOQ-SECBINFHSA-N 2 1 158.289 1.232 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H]1CCC[NH2+]C1 54469502 486758088 /nfs/dbraw/zinc/75/80/88/486758088.db2.gz ASJHVUBLKUIZSW-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[NH2+]1 54488663 486758099 /nfs/dbraw/zinc/75/80/99/486758099.db2.gz KNKXFCPZHPKHHN-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H](C)C[NH2+]CCn1cc[nH+]c1C 54470233 486758107 /nfs/dbraw/zinc/75/81/07/486758107.db2.gz KZYLZGRMDSYSTP-SNVBAGLBSA-N 2 1 195.310 1.827 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1ccsc1 63147363 486769606 /nfs/dbraw/zinc/76/96/06/486769606.db2.gz VFCZJWDFEARMSD-UHFFFAOYSA-N 2 1 184.308 1.575 20 0 ADADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccsc1 63147279 486769892 /nfs/dbraw/zinc/76/98/92/486769892.db2.gz IYSJKCCBJVZNFW-SNVBAGLBSA-N 2 1 198.335 1.821 20 0 ADADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccsc1 63147281 486770008 /nfs/dbraw/zinc/77/00/08/486770008.db2.gz IYSJKCCBJVZNFW-JTQLQIEISA-N 2 1 198.335 1.821 20 0 ADADMP COCCC[NH2+]CC[NH2+]C(C)(C)C 66184194 486770506 /nfs/dbraw/zinc/77/05/06/486770506.db2.gz GVRWQJQRZXWYBS-UHFFFAOYSA-N 2 1 188.315 1.001 20 0 ADADMP CCC(C)(C)[N@@H+](C)CCC[NH3+] 68994823 486772878 /nfs/dbraw/zinc/77/28/78/486772878.db2.gz IZMUFSMZKQXNCV-UHFFFAOYSA-N 2 1 158.289 1.456 20 0 ADADMP C[C@H](CC1CC1)[NH2+][C@H]1CCC[NH2+]C1 69662243 486773483 /nfs/dbraw/zinc/77/34/83/486773483.db2.gz PGUDMWWYHSTOIE-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 69662238 486773593 /nfs/dbraw/zinc/77/35/93/486773593.db2.gz PGUDMWWYHSTOIE-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H](CC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 69662234 486773607 /nfs/dbraw/zinc/77/36/07/486773607.db2.gz PGUDMWWYHSTOIE-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H](CC1CC1)[NH2+]C1CC[NH+](C)CC1 69662270 486773771 /nfs/dbraw/zinc/77/37/71/486773771.db2.gz MUUNUKDHXBKPST-JTQLQIEISA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H](CC1CC1)[NH2+][C@H]1CCC[NH2+]C1 69662240 486773781 /nfs/dbraw/zinc/77/37/81/486773781.db2.gz PGUDMWWYHSTOIE-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H](CC1CC1)[NH2+]C1CC[NH+](C)CC1 69662273 486774137 /nfs/dbraw/zinc/77/41/37/486774137.db2.gz MUUNUKDHXBKPST-SNVBAGLBSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC)C1 673914787 486781265 /nfs/dbraw/zinc/78/12/65/486781265.db2.gz BTMVHFVHURFGIJ-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC)C1 673914787 486781268 /nfs/dbraw/zinc/78/12/68/486781268.db2.gz BTMVHFVHURFGIJ-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC)C1 673914787 486781273 /nfs/dbraw/zinc/78/12/73/486781273.db2.gz BTMVHFVHURFGIJ-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC)C1 673914788 486781396 /nfs/dbraw/zinc/78/13/96/486781396.db2.gz BTMVHFVHURFGIJ-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC)C1 673914788 486781401 /nfs/dbraw/zinc/78/14/01/486781401.db2.gz BTMVHFVHURFGIJ-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC)C1 673914788 486781408 /nfs/dbraw/zinc/78/14/08/486781408.db2.gz BTMVHFVHURFGIJ-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CC2)C1 70584681 486784712 /nfs/dbraw/zinc/78/47/12/486784712.db2.gz DHWDYDWZVDKKNI-GFCCVEGCSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CC2)C1 70584682 486784529 /nfs/dbraw/zinc/78/45/29/486784529.db2.gz DHWDYDWZVDKKNI-LBPRGKRZSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CC2)C1 70584682 486784533 /nfs/dbraw/zinc/78/45/33/486784533.db2.gz DHWDYDWZVDKKNI-LBPRGKRZSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CC2)C1 70584681 486784717 /nfs/dbraw/zinc/78/47/17/486784717.db2.gz DHWDYDWZVDKKNI-GFCCVEGCSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CCC[N@@H+](CCC[NH3+])CC1 70652721 486791459 /nfs/dbraw/zinc/79/14/59/486791459.db2.gz FARVXMMMMOATLX-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP CC[C@H]1CCC[N@@H+](CCC[NH3+])CC1 70652722 486792016 /nfs/dbraw/zinc/79/20/16/486792016.db2.gz FARVXMMMMOATLX-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 70798731 486793221 /nfs/dbraw/zinc/79/32/21/486793221.db2.gz CJBNCLUWNFCHMQ-NSHDSACASA-N 2 1 198.354 1.964 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@H](C[NH2+]C)C1 70798639 486793282 /nfs/dbraw/zinc/79/32/82/486793282.db2.gz BOTCKRVBZWPPOS-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH2+]C)C1 70798642 486793934 /nfs/dbraw/zinc/79/39/34/486793934.db2.gz BOTCKRVBZWPPOS-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 70798728 486793952 /nfs/dbraw/zinc/79/39/52/486793952.db2.gz CJBNCLUWNFCHMQ-LLVKDONJSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 70829061 486794459 /nfs/dbraw/zinc/79/44/59/486794459.db2.gz FGVVTVAUIJQNPT-AXFHLTTASA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 70829071 486794484 /nfs/dbraw/zinc/79/44/84/486794484.db2.gz FGVVTVAUIJQNPT-HBNTYKKESA-N 2 1 182.311 1.517 20 0 ADADMP CCCC[N@@H+](CCC[NH3+])CCOC 70844040 486796298 /nfs/dbraw/zinc/79/62/98/486796298.db2.gz JSJOSOZXFKVSGZ-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP CC(C)CCC[N@H+](C)CC[NH3+] 77261187 486802211 /nfs/dbraw/zinc/80/22/11/486802211.db2.gz OVBDIABMOOHRBQ-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP CC(C)CCC[N@@H+](C)CC[NH3+] 77261187 486802215 /nfs/dbraw/zinc/80/22/15/486802215.db2.gz OVBDIABMOOHRBQ-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP C[N@H+](CC[NH3+])CCCC(C)(C)C 77265091 486802525 /nfs/dbraw/zinc/80/25/25/486802525.db2.gz BVLOPKYZEWIIHW-UHFFFAOYSA-N 2 1 172.316 1.703 20 0 ADADMP C[N@@H+](CC[NH3+])CCCC(C)(C)C 77265091 486802530 /nfs/dbraw/zinc/80/25/30/486802530.db2.gz BVLOPKYZEWIIHW-UHFFFAOYSA-N 2 1 172.316 1.703 20 0 ADADMP CCCc1[nH+]ccn1CCC[NH2+]C 78697440 486803700 /nfs/dbraw/zinc/80/37/00/486803700.db2.gz GIZZJDKSZCRVBB-UHFFFAOYSA-N 2 1 181.283 1.445 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 81635506 486805389 /nfs/dbraw/zinc/80/53/89/486805389.db2.gz HBYPSOCFMCUCGI-MNOVXSKESA-N 2 1 182.311 1.504 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 81635501 486805506 /nfs/dbraw/zinc/80/55/06/486805506.db2.gz HBYPSOCFMCUCGI-QWRGUYRKSA-N 2 1 182.311 1.504 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 81635496 486805555 /nfs/dbraw/zinc/80/55/55/486805555.db2.gz HBYPSOCFMCUCGI-GHMZBOCLSA-N 2 1 182.311 1.504 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 81635494 486805979 /nfs/dbraw/zinc/80/59/79/486805979.db2.gz HBYPSOCFMCUCGI-WDEREUQCSA-N 2 1 182.311 1.504 20 0 ADADMP C[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 82489386 486813372 /nfs/dbraw/zinc/81/33/72/486813372.db2.gz CIKZISRLKHEBDX-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)CC1 82489384 486813413 /nfs/dbraw/zinc/81/34/13/486813413.db2.gz CIKZISRLKHEBDX-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[N@@H+](CC1CCCC1)C[C@H]1CC[NH2+]C1 82492433 486813687 /nfs/dbraw/zinc/81/36/87/486813687.db2.gz YGBPZIHIIZOINL-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)CC1 82496679 486813834 /nfs/dbraw/zinc/81/38/34/486813834.db2.gz OPVIALSNSNEECF-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CC1CCCC1 82492344 486814020 /nfs/dbraw/zinc/81/40/20/486814020.db2.gz VPDXAKCOKLKPDH-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP C[N@@H+](CC1CCCC1)C[C@@H]1CC[NH2+]C1 82492431 486814042 /nfs/dbraw/zinc/81/40/42/486814042.db2.gz YGBPZIHIIZOINL-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)CC1 82496678 486814206 /nfs/dbraw/zinc/81/42/06/486814206.db2.gz OPVIALSNSNEECF-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CCOCC[N@H+](CC)CC(C)(C)[NH3+] 82538611 486815048 /nfs/dbraw/zinc/81/50/48/486815048.db2.gz QYOVFDUPARBPGX-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CCOCC[N@@H+](CC)CC(C)(C)[NH3+] 82538611 486815053 /nfs/dbraw/zinc/81/50/53/486815053.db2.gz QYOVFDUPARBPGX-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 674865697 486817706 /nfs/dbraw/zinc/81/77/06/486817706.db2.gz QIIOUQUQGJHWFG-VXGBXAGGSA-N 2 1 198.354 1.916 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 674865694 486818043 /nfs/dbraw/zinc/81/80/43/486818043.db2.gz QIIOUQUQGJHWFG-NEPJUHHUSA-N 2 1 198.354 1.916 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 674865695 486818069 /nfs/dbraw/zinc/81/80/69/486818069.db2.gz QIIOUQUQGJHWFG-NWDGAFQWSA-N 2 1 198.354 1.916 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 674865696 486818174 /nfs/dbraw/zinc/81/81/74/486818174.db2.gz QIIOUQUQGJHWFG-RYUDHWBXSA-N 2 1 198.354 1.916 20 0 ADADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CC1 82594442 486819543 /nfs/dbraw/zinc/81/95/43/486819543.db2.gz AXSKBMBELYCZSP-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP CCCC[N@H+]1CCCC[C@@H]1CC[NH3+] 82594421 486819651 /nfs/dbraw/zinc/81/96/51/486819651.db2.gz BHHMFCOTXMYFQB-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CC1 82594439 486819733 /nfs/dbraw/zinc/81/97/33/486819733.db2.gz AXSKBMBELYCZSP-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP CCCC[N@H+]1CCCC[C@H]1CC[NH3+] 82594423 486819796 /nfs/dbraw/zinc/81/97/96/486819796.db2.gz BHHMFCOTXMYFQB-NSHDSACASA-N 2 1 184.327 1.990 20 0 ADADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CC2)C1 82596580 486820453 /nfs/dbraw/zinc/82/04/53/486820453.db2.gz XCCAJPKVJJDNOV-JTQLQIEISA-N 2 1 182.311 1.457 20 0 ADADMP CCC[N@H+]1CCCC[C@@H]1CC[NH3+] 82594561 486820523 /nfs/dbraw/zinc/82/05/23/486820523.db2.gz WKYKGXDRHQJZJE-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCC[N@H+]1CCCC[C@H]1CC[NH3+] 82594563 486820602 /nfs/dbraw/zinc/82/06/02/486820602.db2.gz WKYKGXDRHQJZJE-JTQLQIEISA-N 2 1 170.300 1.600 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCC(C)(C)C 82594642 486820734 /nfs/dbraw/zinc/82/07/34/486820734.db2.gz XSQWFNGCVKCNQA-VIFPVBQESA-N 2 1 172.316 1.702 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+](C)CCC(C)(C)C 82594644 486820957 /nfs/dbraw/zinc/82/09/57/486820957.db2.gz XSQWFNGCVKCNQA-SECBINFHSA-N 2 1 172.316 1.702 20 0 ADADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CC2)C1 82596579 486821107 /nfs/dbraw/zinc/82/11/07/486821107.db2.gz XCCAJPKVJJDNOV-SNVBAGLBSA-N 2 1 182.311 1.457 20 0 ADADMP CCCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645410 486821667 /nfs/dbraw/zinc/82/16/67/486821667.db2.gz WMSSBWBIMSIQSL-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP Cc1ncsc1C[N@H+](C)CCC[NH3+] 82631818 486821739 /nfs/dbraw/zinc/82/17/39/486821739.db2.gz FPYLBMAXVQJEMS-UHFFFAOYSA-N 2 1 199.323 1.232 20 0 ADADMP Cc1ncsc1C[N@@H+](C)CCC[NH3+] 82631818 486821742 /nfs/dbraw/zinc/82/17/42/486821742.db2.gz FPYLBMAXVQJEMS-UHFFFAOYSA-N 2 1 199.323 1.232 20 0 ADADMP CCCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645411 486822427 /nfs/dbraw/zinc/82/24/27/486822427.db2.gz WMSSBWBIMSIQSL-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@@H]1C 82648494 486822886 /nfs/dbraw/zinc/82/28/86/486822886.db2.gz LGPIOZAXFNKICM-VHSXEESVSA-N 2 1 170.300 1.184 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@@H]1C 82648496 486823213 /nfs/dbraw/zinc/82/32/13/486823213.db2.gz LGPIOZAXFNKICM-UWVGGRQHSA-N 2 1 170.300 1.184 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@H]1C[C@H]1C 82648493 486823753 /nfs/dbraw/zinc/82/37/53/486823753.db2.gz LGPIOZAXFNKICM-NXEZZACHSA-N 2 1 170.300 1.184 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1C[C@H]1C 82648495 486823779 /nfs/dbraw/zinc/82/37/79/486823779.db2.gz LGPIOZAXFNKICM-ZJUUUORDSA-N 2 1 170.300 1.184 20 0 ADADMP CC[C@H]1CCC[C@H]([NH2+]CC[NH3+])C1 82713559 486824296 /nfs/dbraw/zinc/82/42/96/486824296.db2.gz FENAOSXNRBBMGE-UWVGGRQHSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 82713560 486824550 /nfs/dbraw/zinc/82/45/50/486824550.db2.gz FENAOSXNRBBMGE-NXEZZACHSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 82713561 486824571 /nfs/dbraw/zinc/82/45/71/486824571.db2.gz FENAOSXNRBBMGE-VHSXEESVSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]1CCC[C@H]([NH2+]CC[NH3+])C1 82713558 486824708 /nfs/dbraw/zinc/82/47/08/486824708.db2.gz FENAOSXNRBBMGE-ZJUUUORDSA-N 2 1 170.300 1.504 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC[NH3+])CC[C@H]1C 82836872 486825986 /nfs/dbraw/zinc/82/59/86/486825986.db2.gz PKFFNNHFTAPYFF-KXUCPTDWSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC[NH3+])CC[C@H]1C 82836870 486826731 /nfs/dbraw/zinc/82/67/31/486826731.db2.gz PKFFNNHFTAPYFF-UTLUCORTSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH3+])[C@H](C)C1 82858738 486827169 /nfs/dbraw/zinc/82/71/69/486827169.db2.gz WOUCBYXZQHPGDQ-OPRDCNLKSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC[NH3+])C1 82858742 486827185 /nfs/dbraw/zinc/82/71/85/486827185.db2.gz UOQROLJEOPJZBP-OPRDCNLKSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]CC[NH3+])[C@H](C)C1 82858736 486827194 /nfs/dbraw/zinc/82/71/94/486827194.db2.gz WOUCBYXZQHPGDQ-BBBLOLIVSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+]CC[NH3+])[C@@H]1C 82858732 486827550 /nfs/dbraw/zinc/82/75/50/486827550.db2.gz PEMHJYKYFXFDKF-BBBLOLIVSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH3+] 82858740 486827750 /nfs/dbraw/zinc/82/77/50/486827750.db2.gz UOQROLJEOPJZBP-KXUCPTDWSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])[C@@H]1C 82858734 486827771 /nfs/dbraw/zinc/82/77/71/486827771.db2.gz PEMHJYKYFXFDKF-OPRDCNLKSA-N 2 1 170.300 1.359 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1cccc(F)c1 83342575 486832453 /nfs/dbraw/zinc/83/24/53/486832453.db2.gz BGPJDDFEHLOTMS-UHFFFAOYSA-N 2 1 196.269 1.525 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1cccc(O)c1 83342160 486832983 /nfs/dbraw/zinc/83/29/83/486832983.db2.gz SCPHVLSJKNHNED-UHFFFAOYSA-N 2 1 194.278 1.091 20 0 ADADMP CCC(CC)(CC)[NH2+]CC[NH3+] 83388616 486834216 /nfs/dbraw/zinc/83/42/16/486834216.db2.gz SIYRKNSWTWDYQY-UHFFFAOYSA-N 2 1 158.289 1.504 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1 83565770 486838057 /nfs/dbraw/zinc/83/80/57/486838057.db2.gz FXMQPWNVBAIKSM-NXEZZACHSA-N 2 1 178.279 1.684 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccccc1 83565768 486838077 /nfs/dbraw/zinc/83/80/77/486838077.db2.gz FXMQPWNVBAIKSM-ZJUUUORDSA-N 2 1 178.279 1.684 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 83700698 486839828 /nfs/dbraw/zinc/83/98/28/486839828.db2.gz HFCNWPPMXSJZME-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83700499 486840284 /nfs/dbraw/zinc/84/02/84/486840284.db2.gz INFOFSRVSWOXFA-AXFHLTTASA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83700499 486840288 /nfs/dbraw/zinc/84/02/88/486840288.db2.gz INFOFSRVSWOXFA-AXFHLTTASA-N 2 1 182.311 1.598 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 83700696 486840346 /nfs/dbraw/zinc/84/03/46/486840346.db2.gz HFCNWPPMXSJZME-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)C[NH2+][C@H](C[NH3+])CC(C)C 83761801 486840920 /nfs/dbraw/zinc/84/09/20/486840920.db2.gz RTRUUUOFYMPLJS-JTQLQIEISA-N 2 1 172.316 1.605 20 0 ADADMP CC(C)C[NH2+][C@](C)(C[NH3+])C(C)C 83761638 486840950 /nfs/dbraw/zinc/84/09/50/486840950.db2.gz VMYVEYUZAUERPC-SNVBAGLBSA-N 2 1 172.316 1.605 20 0 ADADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CC1 83763477 486840994 /nfs/dbraw/zinc/84/09/94/486840994.db2.gz XTRMESXEGKKLSD-SECBINFHSA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCCC1 83762566 486841027 /nfs/dbraw/zinc/84/10/27/486841027.db2.gz GEYNPRPPONDXNL-LLVKDONJSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[NH2+][C@@](C)(C[NH3+])C1CC1 83761716 486841040 /nfs/dbraw/zinc/84/10/40/486841040.db2.gz MITLVZJNOZIBLG-JTQLQIEISA-N 2 1 170.300 1.359 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC 83761245 486841052 /nfs/dbraw/zinc/84/10/52/486841052.db2.gz RYQCTGOVBRDNRN-ZJUUUORDSA-N 2 1 172.316 1.892 20 0 ADADMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 83760498 486841066 /nfs/dbraw/zinc/84/10/66/486841066.db2.gz ZBLNXCZDGNHRCA-KOLCDFICSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]CC(C)C 83762015 486841086 /nfs/dbraw/zinc/84/10/86/486841086.db2.gz YOQLEAXSDIRBKS-SNVBAGLBSA-N 2 1 172.316 1.750 20 0 ADADMP C[C@](C[NH3+])([NH2+]CC1CC1)C1CC1 83763696 486841104 /nfs/dbraw/zinc/84/11/04/486841104.db2.gz STEPCGWBYIJCIG-SNVBAGLBSA-N 2 1 168.284 1.113 20 0 ADADMP CC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 83761220 486841114 /nfs/dbraw/zinc/84/11/14/486841114.db2.gz NETGVPQWCBPCHR-VXNVDRBHSA-N 2 1 156.273 1.112 20 0 ADADMP CC(C)C[NH2+][C@H](C[NH3+])C1CCCC1 83761505 486841125 /nfs/dbraw/zinc/84/11/25/486841125.db2.gz MXJNWPLNMSTMMO-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CC1CC1)C1CC1 83763697 486841134 /nfs/dbraw/zinc/84/11/34/486841134.db2.gz STEPCGWBYIJCIG-JTQLQIEISA-N 2 1 168.284 1.113 20 0 ADADMP CC(C)C[NH2+][C@](C)(C[NH3+])C1CC1 83761718 486841155 /nfs/dbraw/zinc/84/11/55/486841155.db2.gz MITLVZJNOZIBLG-SNVBAGLBSA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CC1 83763479 486841164 /nfs/dbraw/zinc/84/11/64/486841164.db2.gz XTRMESXEGKKLSD-VIFPVBQESA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]C[C@H]([NH2+]Cc1cccs1)C1CC1 83758678 486841198 /nfs/dbraw/zinc/84/11/98/486841198.db2.gz DQLSUUKBELPJBE-JTQLQIEISA-N 2 1 196.319 1.575 20 0 ADADMP [NH3+]C[C@@H]([NH2+]CC1CC1)C1CCCCC1 83763531 486841207 /nfs/dbraw/zinc/84/12/07/486841207.db2.gz UEJJGRFPIUBRNT-GFCCVEGCSA-N 2 1 196.338 1.894 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC 83761244 486841244 /nfs/dbraw/zinc/84/12/44/486841244.db2.gz RYQCTGOVBRDNRN-VHSXEESVSA-N 2 1 172.316 1.892 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CC1 83763627 486841252 /nfs/dbraw/zinc/84/12/52/486841252.db2.gz MYAYRQLKEIUERC-JTQLQIEISA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]C[C@@H]([NH2+]Cc1cccs1)C1CC1 83758679 486841276 /nfs/dbraw/zinc/84/12/76/486841276.db2.gz DQLSUUKBELPJBE-SNVBAGLBSA-N 2 1 196.319 1.575 20 0 ADADMP CC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 83760500 486841341 /nfs/dbraw/zinc/84/13/41/486841341.db2.gz ZBLNXCZDGNHRCA-ONGXEEELSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCCC1 83762563 486841370 /nfs/dbraw/zinc/84/13/70/486841370.db2.gz GEYNPRPPONDXNL-NSHDSACASA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]CC1CC1 83763940 486841378 /nfs/dbraw/zinc/84/13/78/486841378.db2.gz CUZNLBPAQNTKQL-SNVBAGLBSA-N 2 1 170.300 1.504 20 0 ADADMP CC(C)C[NH2+][C@@H](C[NH3+])CC(C)C 83761803 486841402 /nfs/dbraw/zinc/84/14/02/486841402.db2.gz RTRUUUOFYMPLJS-SNVBAGLBSA-N 2 1 172.316 1.605 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]CC1CC1 83763785 486841432 /nfs/dbraw/zinc/84/14/32/486841432.db2.gz ICDOEFGNWJQXAS-SNVBAGLBSA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]C[C@H]([NH2+]C1CCCCC1)C1CC1 83760224 486841440 /nfs/dbraw/zinc/84/14/40/486841440.db2.gz SHCWQLGZGDZKLU-NSHDSACASA-N 2 1 182.311 1.646 20 0 ADADMP [NH3+]C[C@H]([NH2+]CC1CC1)C1CCCC1 83763486 486841448 /nfs/dbraw/zinc/84/14/48/486841448.db2.gz QTNQJELYXASZON-NSHDSACASA-N 2 1 182.311 1.504 20 0 ADADMP [NH3+]C[C@H]([NH2+]C1CCCC1)C1CC1 83762722 486841454 /nfs/dbraw/zinc/84/14/54/486841454.db2.gz XVUIXHJCFSYTGD-JTQLQIEISA-N 2 1 168.284 1.256 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC 83761242 486841465 /nfs/dbraw/zinc/84/14/65/486841465.db2.gz RYQCTGOVBRDNRN-UWVGGRQHSA-N 2 1 172.316 1.892 20 0 ADADMP CC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 83761217 486841476 /nfs/dbraw/zinc/84/14/76/486841476.db2.gz NETGVPQWCBPCHR-CBAPKCEASA-N 2 1 156.273 1.112 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC 83761247 486841512 /nfs/dbraw/zinc/84/15/12/486841512.db2.gz RYQCTGOVBRDNRN-NXEZZACHSA-N 2 1 172.316 1.892 20 0 ADADMP CC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 83760502 486841528 /nfs/dbraw/zinc/84/15/28/486841528.db2.gz ZBLNXCZDGNHRCA-MWLCHTKSSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CC1 83763624 486841535 /nfs/dbraw/zinc/84/15/35/486841535.db2.gz MYAYRQLKEIUERC-SNVBAGLBSA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]C[C@@H]([NH2+]C1CCCC1)C1CC1 83762725 486841567 /nfs/dbraw/zinc/84/15/67/486841567.db2.gz XVUIXHJCFSYTGD-SNVBAGLBSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 83761222 486841632 /nfs/dbraw/zinc/84/16/32/486841632.db2.gz NETGVPQWCBPCHR-IONNQARKSA-N 2 1 156.273 1.112 20 0 ADADMP [NH3+]C[C@@H]([NH2+]C1CCCCC1)C1CC1 83760226 486841646 /nfs/dbraw/zinc/84/16/46/486841646.db2.gz SHCWQLGZGDZKLU-LLVKDONJSA-N 2 1 182.311 1.646 20 0 ADADMP CC(C)C[NH2+][C@H](C[NH3+])C(C)(C)C 83761498 486841660 /nfs/dbraw/zinc/84/16/60/486841660.db2.gz RWBMJISSYXDECJ-SECBINFHSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@H](C[NH3+])[NH2+]Cc1cccs1 83758661 486841672 /nfs/dbraw/zinc/84/16/72/486841672.db2.gz XNNNWTNWYYUPLJ-SSDOTTSWSA-N 2 1 170.281 1.185 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+]CC1CC1 83763938 486841702 /nfs/dbraw/zinc/84/17/02/486841702.db2.gz CUZNLBPAQNTKQL-JTQLQIEISA-N 2 1 170.300 1.504 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+]CC(C)C 83762012 486841750 /nfs/dbraw/zinc/84/17/50/486841750.db2.gz YOQLEAXSDIRBKS-JTQLQIEISA-N 2 1 172.316 1.750 20 0 ADADMP CC(C)C[NH2+][C@@](C)(C[NH3+])C(C)C 83761636 486841757 /nfs/dbraw/zinc/84/17/57/486841757.db2.gz VMYVEYUZAUERPC-JTQLQIEISA-N 2 1 172.316 1.605 20 0 ADADMP CC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 83760505 486841767 /nfs/dbraw/zinc/84/17/67/486841767.db2.gz ZBLNXCZDGNHRCA-GXSJLCMTSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[NH2+][C@@H](C[NH3+])C1CCCC1 83761503 486841789 /nfs/dbraw/zinc/84/17/89/486841789.db2.gz MXJNWPLNMSTMMO-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+]CC1CC1 83763784 486841798 /nfs/dbraw/zinc/84/17/98/486841798.db2.gz ICDOEFGNWJQXAS-JTQLQIEISA-N 2 1 170.300 1.359 20 0 ADADMP CC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 83761216 486841807 /nfs/dbraw/zinc/84/18/07/486841807.db2.gz NETGVPQWCBPCHR-APPZFPTMSA-N 2 1 156.273 1.112 20 0 ADADMP CC(C)C[NH2+][C@@H](C[NH3+])C(C)(C)C 83761496 486841817 /nfs/dbraw/zinc/84/18/17/486841817.db2.gz RWBMJISSYXDECJ-VIFPVBQESA-N 2 1 172.316 1.605 20 0 ADADMP [NH3+]C[C@@H]([NH2+]CC1CC1)C1CCCC1 83763484 486841858 /nfs/dbraw/zinc/84/18/58/486841858.db2.gz QTNQJELYXASZON-LLVKDONJSA-N 2 1 182.311 1.504 20 0 ADADMP [NH3+]C[C@H]([NH2+]CC1CC1)C1CCCCC1 83763533 486841867 /nfs/dbraw/zinc/84/18/67/486841867.db2.gz UEJJGRFPIUBRNT-LBPRGKRZSA-N 2 1 196.338 1.894 20 0 ADADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC1CCC1 83839970 486844362 /nfs/dbraw/zinc/84/43/62/486844362.db2.gz QNMDUIGJELDVEV-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP CC[N@@H+](CCC[NH3+])CC1CCC1 83838086 486844794 /nfs/dbraw/zinc/84/47/94/486844794.db2.gz YSRMDDMAKKMFEZ-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC1CCC1 83839969 486844826 /nfs/dbraw/zinc/84/48/26/486844826.db2.gz QNMDUIGJELDVEV-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)[N@@H+](CCC[NH3+])CC1CCC1 83838090 486844942 /nfs/dbraw/zinc/84/49/42/486844942.db2.gz CVZXSHSNXFTOHR-UHFFFAOYSA-N 2 1 184.327 1.846 20 0 ADADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC2CCC2)C1 83839986 486844964 /nfs/dbraw/zinc/84/49/64/486844964.db2.gz SQLVBRXTXWFTQP-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[C@H]1CCC[N@@H+](CC2CCC2)C1 83839982 486845013 /nfs/dbraw/zinc/84/50/13/486845013.db2.gz SQLVBRXTXWFTQP-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCC1 83839338 486845117 /nfs/dbraw/zinc/84/51/17/486845117.db2.gz UQHHFPSCFHMJQP-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CCC2)C1 83839405 486845165 /nfs/dbraw/zinc/84/51/65/486845165.db2.gz KCBAVMVDGRAJIW-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCC1 83839335 486845280 /nfs/dbraw/zinc/84/52/80/486845280.db2.gz UQHHFPSCFHMJQP-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CCC2)C1 83839404 486845318 /nfs/dbraw/zinc/84/53/18/486845318.db2.gz KCBAVMVDGRAJIW-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH+]1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 675639100 486845866 /nfs/dbraw/zinc/84/58/66/486845866.db2.gz BYNGYQKBYHWMTE-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](CC1CC1)C[C@@H]1CCC[N@H+](C)C1 675639100 486845868 /nfs/dbraw/zinc/84/58/68/486845868.db2.gz BYNGYQKBYHWMTE-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](CC1CC1)C[C@@H]1CCC[N@@H+](C)C1 675639100 486845871 /nfs/dbraw/zinc/84/58/71/486845871.db2.gz BYNGYQKBYHWMTE-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+]CCC2CC2)C1 83893391 486845999 /nfs/dbraw/zinc/84/59/99/486845999.db2.gz LZNHQOSBAVNUKR-JTQLQIEISA-N 2 1 168.284 1.128 20 0 ADADMP CC[NH+]1CCC([N@H+](C)CC2CC2)CC1 675639079 486846057 /nfs/dbraw/zinc/84/60/57/486846057.db2.gz BLAVLPPJPVELAG-UHFFFAOYSA-N 2 1 196.338 1.813 20 0 ADADMP CC[NH+]1CCC([N@@H+](C)CC2CC2)CC1 675639079 486846061 /nfs/dbraw/zinc/84/60/61/486846061.db2.gz BLAVLPPJPVELAG-UHFFFAOYSA-N 2 1 196.338 1.813 20 0 ADADMP C[NH+]1CCC[C@H](C[N@@H+](C)CC2CC2)C1 675639101 486846245 /nfs/dbraw/zinc/84/62/45/486846245.db2.gz BYNGYQKBYHWMTE-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](CC1CC1)C[C@H]1CCC[N@H+](C)C1 675639101 486846249 /nfs/dbraw/zinc/84/62/49/486846249.db2.gz BYNGYQKBYHWMTE-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](CC1CC1)C[C@H]1CCC[N@@H+](C)C1 675639101 486846253 /nfs/dbraw/zinc/84/62/53/486846253.db2.gz BYNGYQKBYHWMTE-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+]CCC2CC2)C1 83893392 486846672 /nfs/dbraw/zinc/84/66/72/486846672.db2.gz LZNHQOSBAVNUKR-SNVBAGLBSA-N 2 1 168.284 1.128 20 0 ADADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC2CC2)C1 675640424 486847317 /nfs/dbraw/zinc/84/73/17/486847317.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@H+](CC2CC2)C1 675640424 486847320 /nfs/dbraw/zinc/84/73/20/486847320.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC2CC2)C1 675640424 486847325 /nfs/dbraw/zinc/84/73/25/486847325.db2.gz YYHQDOILHQYVJX-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CC2)C1 675640284 486847400 /nfs/dbraw/zinc/84/74/00/486847400.db2.gz USYUEBOMPGIOGO-NSHDSACASA-N 2 1 182.311 1.280 20 0 ADADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC2CC2)C1 675640425 486847461 /nfs/dbraw/zinc/84/74/61/486847461.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC2CC2)C1 675640425 486847468 /nfs/dbraw/zinc/84/74/68/486847468.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC2CC2)C1 675640425 486847475 /nfs/dbraw/zinc/84/74/75/486847475.db2.gz YYHQDOILHQYVJX-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CC2)C1 675640283 486847525 /nfs/dbraw/zinc/84/75/25/486847525.db2.gz USYUEBOMPGIOGO-LLVKDONJSA-N 2 1 182.311 1.280 20 0 ADADMP C[N@@H+](CCC[NH3+])CCC1CC1 83926176 486848409 /nfs/dbraw/zinc/84/84/09/486848409.db2.gz WFTRDGNEUHDHPH-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP CC[N@@H+](CCC[NH3+])CCC1CC1 83926177 486848593 /nfs/dbraw/zinc/84/85/93/486848593.db2.gz BWMQTCFLSNQFLJ-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP CCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 83983411 486850921 /nfs/dbraw/zinc/85/09/21/486850921.db2.gz FUYYPGVBPWBEMP-GFCCVEGCSA-N 2 1 196.338 1.862 20 0 ADADMP CCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 83983410 486851576 /nfs/dbraw/zinc/85/15/76/486851576.db2.gz FUYYPGVBPWBEMP-LBPRGKRZSA-N 2 1 196.338 1.862 20 0 ADADMP CCc1cc(NC[C@H](C)[NH3+])nc(C)[nH+]1 84082146 486853323 /nfs/dbraw/zinc/85/33/23/486853323.db2.gz KDEFOELOJIKGHD-ZETCQYMHSA-N 2 1 194.282 1.107 20 0 ADADMP CC(C)[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 84126102 486853331 /nfs/dbraw/zinc/85/33/31/486853331.db2.gz VIJKVVJTNIVFHT-VXGBXAGGSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 84126099 486853717 /nfs/dbraw/zinc/85/37/17/486853717.db2.gz VIJKVVJTNIVFHT-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H]1C(C)C 84125612 486854158 /nfs/dbraw/zinc/85/41/58/486854158.db2.gz WIZMBXWMWCFUMS-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 676223417 486857970 /nfs/dbraw/zinc/85/79/70/486857970.db2.gz OBWBFQHZFRBVRM-NSHDSACASA-N 2 1 196.338 1.955 20 0 ADADMP CCc1cc(NC[C@@H](C)[NH3+])nc(C)[nH+]1 84082145 486854307 /nfs/dbraw/zinc/85/43/07/486854307.db2.gz KDEFOELOJIKGHD-SSDOTTSWSA-N 2 1 194.282 1.107 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(C)C 84125614 486854339 /nfs/dbraw/zinc/85/43/39/486854339.db2.gz WIZMBXWMWCFUMS-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)CC[C@@H]1CCC[N@H+]1C 676223352 486857889 /nfs/dbraw/zinc/85/78/89/486857889.db2.gz IYNKTVBNEUEMEV-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 676223417 486857959 /nfs/dbraw/zinc/85/79/59/486857959.db2.gz OBWBFQHZFRBVRM-NSHDSACASA-N 2 1 196.338 1.955 20 0 ADADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 676223417 486857965 /nfs/dbraw/zinc/85/79/65/486857965.db2.gz OBWBFQHZFRBVRM-NSHDSACASA-N 2 1 196.338 1.955 20 0 ADADMP CC[NH+](CC)CC[C@H]1CCC[N@H+]1C 676223351 486858064 /nfs/dbraw/zinc/85/80/64/486858064.db2.gz IYNKTVBNEUEMEV-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](CC)CCCn1cc[nH+]c1C 676223398 486858443 /nfs/dbraw/zinc/85/84/43/486858443.db2.gz MFRNLQHDUXAEFS-UHFFFAOYSA-N 2 1 195.310 1.923 20 0 ADADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 676223416 486858752 /nfs/dbraw/zinc/85/87/52/486858752.db2.gz OBWBFQHZFRBVRM-LLVKDONJSA-N 2 1 196.338 1.955 20 0 ADADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 676223416 486858757 /nfs/dbraw/zinc/85/87/57/486858757.db2.gz OBWBFQHZFRBVRM-LLVKDONJSA-N 2 1 196.338 1.955 20 0 ADADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 676223416 486858762 /nfs/dbraw/zinc/85/87/62/486858762.db2.gz OBWBFQHZFRBVRM-LLVKDONJSA-N 2 1 196.338 1.955 20 0 ADADMP CCC[N@@H+](CC)CC[C@H]1CC[NH2+]C1 84384669 486859957 /nfs/dbraw/zinc/85/99/57/486859957.db2.gz IULNBHZVOPWOLS-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384726 486859987 /nfs/dbraw/zinc/85/99/87/486859987.db2.gz WQCUXBAEYCFJEY-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 84384636 486860043 /nfs/dbraw/zinc/86/00/43/486860043.db2.gz YWVPSUOBPBPJQE-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 84384678 486860054 /nfs/dbraw/zinc/86/00/54/486860054.db2.gz GUFIOOJBPWODDV-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84384686 486860062 /nfs/dbraw/zinc/86/00/62/486860062.db2.gz JTGUCYDQLVKOJL-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384722 486860081 /nfs/dbraw/zinc/86/00/81/486860081.db2.gz WQCUXBAEYCFJEY-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)C 84384699 486860129 /nfs/dbraw/zinc/86/01/29/486860129.db2.gz QSEHNUZWLUMOLS-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384829 486860181 /nfs/dbraw/zinc/86/01/81/486860181.db2.gz GYRKUOOBKNXOLD-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 84384692 486860204 /nfs/dbraw/zinc/86/02/04/486860204.db2.gz QNJAASGUQPIWNH-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 84384633 486860222 /nfs/dbraw/zinc/86/02/22/486860222.db2.gz YWVPSUOBPBPJQE-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCCC1 84384661 486860239 /nfs/dbraw/zinc/86/02/39/486860239.db2.gz TYNURDNICICADC-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384832 486860316 /nfs/dbraw/zinc/86/03/16/486860316.db2.gz GYRKUOOBKNXOLD-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)C 84384704 486860323 /nfs/dbraw/zinc/86/03/23/486860323.db2.gz QSEHNUZWLUMOLS-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CCCC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84384498 486860331 /nfs/dbraw/zinc/86/03/31/486860331.db2.gz QDYSBDWPBQWHLE-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CCCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384494 486860340 /nfs/dbraw/zinc/86/03/40/486860340.db2.gz QDYSBDWPBQWHLE-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 84384676 486860351 /nfs/dbraw/zinc/86/03/51/486860351.db2.gz GUFIOOJBPWODDV-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384695 486860364 /nfs/dbraw/zinc/86/03/64/486860364.db2.gz DITVQKIPGZQMPM-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCCC1 84384659 486860394 /nfs/dbraw/zinc/86/03/94/486860394.db2.gz TYNURDNICICADC-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384689 486860426 /nfs/dbraw/zinc/86/04/26/486860426.db2.gz QNJAASGUQPIWNH-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP CCC[N@@H+](CC)CC[C@@H]1CC[NH2+]C1 84384665 486860444 /nfs/dbraw/zinc/86/04/44/486860444.db2.gz IULNBHZVOPWOLS-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384682 486860508 /nfs/dbraw/zinc/86/05/08/486860508.db2.gz JTGUCYDQLVKOJL-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84384698 486860516 /nfs/dbraw/zinc/86/05/16/486860516.db2.gz DITVQKIPGZQMPM-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)CC[N@@H+](C)CC[C@H]1CC[NH2+]C1 84385132 486860921 /nfs/dbraw/zinc/86/09/21/486860921.db2.gz ITVZKFSIEZSITF-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccccc1 84445151 486861056 /nfs/dbraw/zinc/86/10/56/486861056.db2.gz BRQSSTLSGIFEDG-ZJUUUORDSA-N 2 1 178.279 1.684 20 0 ADADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(C)(C)C 84385573 486861081 /nfs/dbraw/zinc/86/10/81/486861081.db2.gz WBUVCIZACUWJBD-LLVKDONJSA-N 2 1 198.354 1.964 20 0 ADADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(C)(C)C 84385568 486861111 /nfs/dbraw/zinc/86/11/11/486861111.db2.gz WBUVCIZACUWJBD-NSHDSACASA-N 2 1 198.354 1.964 20 0 ADADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 84384913 486861252 /nfs/dbraw/zinc/86/12/52/486861252.db2.gz KRUJSFXLERGFQK-JTQLQIEISA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1 84445149 486861260 /nfs/dbraw/zinc/86/12/60/486861260.db2.gz BRQSSTLSGIFEDG-UWVGGRQHSA-N 2 1 178.279 1.684 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1 84445153 486861333 /nfs/dbraw/zinc/86/13/33/486861333.db2.gz BRQSSTLSGIFEDG-VHSXEESVSA-N 2 1 178.279 1.684 20 0 ADADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CC1 84386012 486861369 /nfs/dbraw/zinc/86/13/69/486861369.db2.gz DMZXARSZOURGQY-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 84384915 486861414 /nfs/dbraw/zinc/86/14/14/486861414.db2.gz KRUJSFXLERGFQK-SNVBAGLBSA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384909 486861444 /nfs/dbraw/zinc/86/14/44/486861444.db2.gz NYEBSETWBFOKLU-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CC1 84386016 486861511 /nfs/dbraw/zinc/86/15/11/486861511.db2.gz DMZXARSZOURGQY-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)CC[N@@H+](C)CC[C@@H]1CC[NH2+]C1 84385129 486861541 /nfs/dbraw/zinc/86/15/41/486861541.db2.gz ITVZKFSIEZSITF-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384911 486861611 /nfs/dbraw/zinc/86/16/11/486861611.db2.gz NYEBSETWBFOKLU-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP Cc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 84453544 486862104 /nfs/dbraw/zinc/86/21/04/486862104.db2.gz XWFPPZSJJMNKSW-UHFFFAOYSA-N 2 1 192.306 1.822 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1 84445155 486862258 /nfs/dbraw/zinc/86/22/58/486862258.db2.gz BRQSSTLSGIFEDG-NXEZZACHSA-N 2 1 178.279 1.684 20 0 ADADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282022 486867581 /nfs/dbraw/zinc/86/75/81/486867581.db2.gz WNSMBAWUZBSKIA-MXWKQRLJSA-N 2 1 182.311 1.184 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282023 486868359 /nfs/dbraw/zinc/86/83/59/486868359.db2.gz WNSMBAWUZBSKIA-GARJFASQSA-N 2 1 182.311 1.184 20 0 ADADMP CCC(CC)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282133 486868404 /nfs/dbraw/zinc/86/84/04/486868404.db2.gz AHUBFFVTOMJWKK-TXEJJXNPSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@H]1C 86009247 486871220 /nfs/dbraw/zinc/87/12/20/486871220.db2.gz KHYKIXIRRMDNEU-GHMZBOCLSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]1C 86009244 486871291 /nfs/dbraw/zinc/87/12/91/486871291.db2.gz KHYKIXIRRMDNEU-PHIMTYICSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]1C 86009244 486871298 /nfs/dbraw/zinc/87/12/98/486871298.db2.gz KHYKIXIRRMDNEU-PHIMTYICSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H]1C 86010060 486871694 /nfs/dbraw/zinc/87/16/94/486871694.db2.gz LZSXEXRRSUYFCV-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C 86010087 486871723 /nfs/dbraw/zinc/87/17/23/486871723.db2.gz APGQALOMDHLAIV-OUAUKWLOSA-N 2 1 182.311 1.184 20 0 ADADMP C[C@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@@H]1C 86009246 486871766 /nfs/dbraw/zinc/87/17/66/486871766.db2.gz KHYKIXIRRMDNEU-QWRGUYRKSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]1C 86015621 486872557 /nfs/dbraw/zinc/87/25/57/486872557.db2.gz OUGJKLSBDYENJK-TUAOUCFPSA-N 2 1 196.338 1.574 20 0 ADADMP CCCCC[N@@H+](C)CCOCC[NH3+] 86435383 486879952 /nfs/dbraw/zinc/87/99/52/486879952.db2.gz JCVDJGNVACXHQF-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP CC[C@H](C)[N@@H+](CC)CCOCC[NH3+] 86435382 486880104 /nfs/dbraw/zinc/88/01/04/486880104.db2.gz PSHCBSBPNNBZPS-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CCC[C@@H](C)[N@@H+](C)CCOCC[NH3+] 86435408 486880370 /nfs/dbraw/zinc/88/03/70/486880370.db2.gz DRFWQNILSBEXAD-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CCC[C@H](C)[N@@H+](C)CCOCC[NH3+] 86435409 486880397 /nfs/dbraw/zinc/88/03/97/486880397.db2.gz DRFWQNILSBEXAD-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CCCC[N@@H+](CC)CCOCC[NH3+] 86435349 486880596 /nfs/dbraw/zinc/88/05/96/486880596.db2.gz ZWZLRLRSNMQZMT-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP CC[C@@H](C)[N@@H+](CC)CCOCC[NH3+] 86435381 486880690 /nfs/dbraw/zinc/88/06/90/486880690.db2.gz PSHCBSBPNNBZPS-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC[C@@H](C)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 86437734 486881256 /nfs/dbraw/zinc/88/12/56/486881256.db2.gz GUYBVRARIGYMTK-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)C[N@@H+](CC)CCC[NH2+]C 86437415 486881824 /nfs/dbraw/zinc/88/18/24/486881824.db2.gz NYGNJFSTYJFIAD-NSHDSACASA-N 2 1 186.343 1.964 20 0 ADADMP CC[C@@H](C)C[N@@H+](CC)CCC[NH2+]C 86437413 486881923 /nfs/dbraw/zinc/88/19/23/486881923.db2.gz NYGNJFSTYJFIAD-LLVKDONJSA-N 2 1 186.343 1.964 20 0 ADADMP CC[C@H](C)C[N@@H+](CC)C[C@@H]1CC[NH2+]C1 86437736 486882034 /nfs/dbraw/zinc/88/20/34/486882034.db2.gz GUYBVRARIGYMTK-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP C[N@@H+](CCC1CC1)CC1CC[NH2+]CC1 86702683 486882699 /nfs/dbraw/zinc/88/26/99/486882699.db2.gz ZZOSDKRIRGIMSQ-UHFFFAOYSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)[N@@H+](CC1CC[NH2+]CC1)C1CC1 86702086 486882938 /nfs/dbraw/zinc/88/29/38/486882938.db2.gz WYXZQPYXGLOUAU-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@@H+](CC1CC[NH2+]CC1)C1CCC1 86701856 486883156 /nfs/dbraw/zinc/88/31/56/486883156.db2.gz CDEZHRBXMWYSRO-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP c1csc(CC[NH2+][C@H]2CC[NH2+]C2)c1 86724845 486884022 /nfs/dbraw/zinc/88/40/22/486884022.db2.gz CQSDVSYAQCSYAA-VIFPVBQESA-N 2 1 196.319 1.242 20 0 ADADMP c1csc(CC[NH2+][C@@H]2CC[NH2+]C2)c1 86724844 486884186 /nfs/dbraw/zinc/88/41/86/486884186.db2.gz CQSDVSYAQCSYAA-SECBINFHSA-N 2 1 196.319 1.242 20 0 ADADMP C1CCC(CC[NH2+][C@@H]2CC[NH2+]C2)CC1 86728379 486886186 /nfs/dbraw/zinc/88/61/86/486886186.db2.gz FAGSPMOYCKDCTF-GFCCVEGCSA-N 2 1 196.338 1.908 20 0 ADADMP CC(C)CCC[NH2+][C@@H]1CC[NH2+]C1 86729055 486886277 /nfs/dbraw/zinc/88/62/77/486886277.db2.gz UJYSQAOPUUVHDS-SNVBAGLBSA-N 2 1 170.300 1.374 20 0 ADADMP C1CCC(CC[NH2+][C@H]2CC[NH2+]C2)CC1 86728384 486886372 /nfs/dbraw/zinc/88/63/72/486886372.db2.gz FAGSPMOYCKDCTF-LBPRGKRZSA-N 2 1 196.338 1.908 20 0 ADADMP CC(C)CCC[NH2+][C@H]1CC[NH2+]C1 86729058 486886407 /nfs/dbraw/zinc/88/64/07/486886407.db2.gz UJYSQAOPUUVHDS-JTQLQIEISA-N 2 1 170.300 1.374 20 0 ADADMP CCC(CC)[N@@H+](CCC[NH3+])C1CC1 87156890 486891623 /nfs/dbraw/zinc/89/16/23/486891623.db2.gz RYZLSFUBFALCFI-UHFFFAOYSA-N 2 1 184.327 1.988 20 0 ADADMP C[N@H+](CCC[NH3+])Cc1cccc(O)c1 87185321 486891829 /nfs/dbraw/zinc/89/18/29/486891829.db2.gz URIQBOMUWXPGSU-UHFFFAOYSA-N 2 1 194.278 1.173 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1cccc(O)c1 87185321 486891836 /nfs/dbraw/zinc/89/18/36/486891836.db2.gz URIQBOMUWXPGSU-UHFFFAOYSA-N 2 1 194.278 1.173 20 0 ADADMP CCC[N@@H+](C)CCC[NH+]1CCCC1 677681632 486892179 /nfs/dbraw/zinc/89/21/79/486892179.db2.gz JOCAHTRINSQKBC-UHFFFAOYSA-N 2 1 184.327 1.814 20 0 ADADMP CC[N@@H+](C)CCC[NH+]1CCCC1 677680714 486892327 /nfs/dbraw/zinc/89/23/27/486892327.db2.gz QWYHIFKTKDOCID-UHFFFAOYSA-N 2 1 170.300 1.424 20 0 ADADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CC1 677675544 486892765 /nfs/dbraw/zinc/89/27/65/486892765.db2.gz GUSXGLOWOZIUAP-UHFFFAOYSA-N 2 1 196.338 1.814 20 0 ADADMP Cc1nc(C[NH2+]CCC[NH3+])sc1C 87375891 486895168 /nfs/dbraw/zinc/89/51/68/486895168.db2.gz UJMYIUJUBDJRQX-UHFFFAOYSA-N 2 1 199.323 1.198 20 0 ADADMP CCC(CC)C[N@@H+](C)CCC[NH2+]C 87472321 486896133 /nfs/dbraw/zinc/89/61/33/486896133.db2.gz KNWJPXVZVNCDLT-UHFFFAOYSA-N 2 1 186.343 1.964 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@H](C)C1(C)CC1 87472199 486896752 /nfs/dbraw/zinc/89/67/52/486896752.db2.gz IUGJRNPVBIOSHA-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C1CCC1 87472401 486896784 /nfs/dbraw/zinc/89/67/84/486896784.db2.gz ZDHBFDRJCHWYMX-UHFFFAOYSA-N 2 1 156.273 1.080 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)C1(C)CC1 87472198 486896880 /nfs/dbraw/zinc/89/68/80/486896880.db2.gz IUGJRNPVBIOSHA-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCC(C)(C)C 87472400 486896915 /nfs/dbraw/zinc/89/69/15/486896915.db2.gz PCQNVUCOQFUFRQ-UHFFFAOYSA-N 2 1 186.343 1.964 20 0 ADADMP CCCC[N@H+](C)CCn1cc[nH+]c1C 677802482 486898198 /nfs/dbraw/zinc/89/81/98/486898198.db2.gz MWKGAILGPIQQTL-UHFFFAOYSA-N 2 1 195.310 1.923 20 0 ADADMP CCCC[N@@H+](C)CCn1cc[nH+]c1C 677802482 486898203 /nfs/dbraw/zinc/89/82/03/486898203.db2.gz MWKGAILGPIQQTL-UHFFFAOYSA-N 2 1 195.310 1.923 20 0 ADADMP CC(C)CC[N@@H+](C)C1CC([NH3+])C1 87653316 486899248 /nfs/dbraw/zinc/89/92/48/486899248.db2.gz YFOAWANWPGXTTA-UHFFFAOYSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C1CC([NH3+])C1 87653204 486898890 /nfs/dbraw/zinc/89/88/90/486898890.db2.gz QCWZVVYMQRCLBE-IDKOKCKLSA-N 2 1 170.300 1.454 20 0 ADADMP C[N@@H+](CC1CCCCC1)C1CC([NH3+])C1 87653335 486898983 /nfs/dbraw/zinc/89/89/83/486898983.db2.gz XXJZFDHMKFLAHH-UHFFFAOYSA-N 2 1 196.338 1.988 20 0 ADADMP CC[N@H+](CCn1cc[nH+]c1C)C1CC1 677802478 486899082 /nfs/dbraw/zinc/89/90/82/486899082.db2.gz MAAUKBZBRCBMJZ-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP CC[N@@H+](CCn1cc[nH+]c1C)C1CC1 677802478 486899088 /nfs/dbraw/zinc/89/90/88/486899088.db2.gz MAAUKBZBRCBMJZ-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C1CC([NH3+])C1 87653203 486899441 /nfs/dbraw/zinc/89/94/41/486899441.db2.gz QCWZVVYMQRCLBE-XNWIYYODSA-N 2 1 170.300 1.454 20 0 ADADMP CCCCC[N@@H+](C)C1CC([NH3+])C1 87653202 486899723 /nfs/dbraw/zinc/89/97/23/486899723.db2.gz RNOHHGYJXWYOLI-UHFFFAOYSA-N 2 1 170.300 1.598 20 0 ADADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC1 677818696 486901561 /nfs/dbraw/zinc/90/15/61/486901561.db2.gz UIBNDRFURQPNEP-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC1 677818696 486901565 /nfs/dbraw/zinc/90/15/65/486901565.db2.gz UIBNDRFURQPNEP-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP CC[N@H+](C)CCCn1cc[nH+]c1C 677818703 486902429 /nfs/dbraw/zinc/90/24/29/486902429.db2.gz UOQMVVIOYPMXOS-UHFFFAOYSA-N 2 1 181.283 1.533 20 0 ADADMP CC[N@@H+](C)CCCn1cc[nH+]c1C 677818703 486902435 /nfs/dbraw/zinc/90/24/35/486902435.db2.gz UOQMVVIOYPMXOS-UHFFFAOYSA-N 2 1 181.283 1.533 20 0 ADADMP Cc1nccn1CCC[N@H+](C)C(C)C 677820153 486902992 /nfs/dbraw/zinc/90/29/92/486902992.db2.gz HPWAVWOYTMATNA-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP Cc1[nH+]ccn1CCC[N@@H+](C)C(C)C 677820153 486902995 /nfs/dbraw/zinc/90/29/95/486902995.db2.gz HPWAVWOYTMATNA-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP Cc1[nH+]ccn1CCC[N@H+](C)C(C)C 677820153 486902998 /nfs/dbraw/zinc/90/29/98/486902998.db2.gz HPWAVWOYTMATNA-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCF)C1 88023889 486905595 /nfs/dbraw/zinc/90/55/95/486905595.db2.gz YLRLWGBPRZNSMB-UWVGGRQHSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCF 88023912 486905625 /nfs/dbraw/zinc/90/56/25/486905625.db2.gz IKRWBNYVANOXNS-ZJUUUORDSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCF)C1 88023888 486905775 /nfs/dbraw/zinc/90/57/75/486905775.db2.gz YLRLWGBPRZNSMB-NXEZZACHSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCF 88023914 486906059 /nfs/dbraw/zinc/90/60/59/486906059.db2.gz IKRWBNYVANOXNS-NXEZZACHSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCF)C1 88023887 486906096 /nfs/dbraw/zinc/90/60/96/486906096.db2.gz YLRLWGBPRZNSMB-VHSXEESVSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCF)C1 88023890 486906167 /nfs/dbraw/zinc/90/61/67/486906167.db2.gz YLRLWGBPRZNSMB-ZJUUUORDSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCF 88023913 486906213 /nfs/dbraw/zinc/90/62/13/486906213.db2.gz IKRWBNYVANOXNS-VHSXEESVSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCF 88023911 486906279 /nfs/dbraw/zinc/90/62/79/486906279.db2.gz IKRWBNYVANOXNS-UWVGGRQHSA-N 2 1 188.290 1.548 20 0 ADADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCF)C1 88026378 486906710 /nfs/dbraw/zinc/90/67/10/486906710.db2.gz NELBWHDMVKXURQ-JTQLQIEISA-N 2 1 188.290 1.407 20 0 ADADMP C[N@@H+](CCCF)CC(C)(C)C[NH3+] 88026442 486906757 /nfs/dbraw/zinc/90/67/57/486906757.db2.gz VGWJLOWIRAFWBH-UHFFFAOYSA-N 2 1 176.279 1.263 20 0 ADADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCF 88026371 486907108 /nfs/dbraw/zinc/90/71/08/486907108.db2.gz QUQZDYSISXOTPC-JTQLQIEISA-N 2 1 188.290 1.549 20 0 ADADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCF)C1 88026377 486907128 /nfs/dbraw/zinc/90/71/28/486907128.db2.gz NELBWHDMVKXURQ-SNVBAGLBSA-N 2 1 188.290 1.407 20 0 ADADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCF 88026372 486907162 /nfs/dbraw/zinc/90/71/62/486907162.db2.gz QUQZDYSISXOTPC-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP C[N@@H+](CCCF)C1CC[NH2+]CC1 88026312 486907183 /nfs/dbraw/zinc/90/71/83/486907183.db2.gz IQJWHDPXDZHXSS-UHFFFAOYSA-N 2 1 174.263 1.030 20 0 ADADMP [NH3+]C[C@H]1CCCC[N@@H+]1CCCF 88025593 486907244 /nfs/dbraw/zinc/90/72/44/486907244.db2.gz YRXOTYWNBQMZHS-SECBINFHSA-N 2 1 174.263 1.159 20 0 ADADMP [NH3+]C[C@H]1CCCC[N@H+]1CCCF 88025593 486907246 /nfs/dbraw/zinc/90/72/46/486907246.db2.gz YRXOTYWNBQMZHS-SECBINFHSA-N 2 1 174.263 1.159 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCF)C1 88025645 486907252 /nfs/dbraw/zinc/90/72/52/486907252.db2.gz IJBGDJOQXJKEOS-JTQLQIEISA-N 2 1 188.290 1.277 20 0 ADADMP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCF 88025592 486907264 /nfs/dbraw/zinc/90/72/64/486907264.db2.gz YRXOTYWNBQMZHS-VIFPVBQESA-N 2 1 174.263 1.159 20 0 ADADMP [NH3+]C[C@@H]1CCCC[N@H+]1CCCF 88025592 486907266 /nfs/dbraw/zinc/90/72/66/486907266.db2.gz YRXOTYWNBQMZHS-VIFPVBQESA-N 2 1 174.263 1.159 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCF)C1 88025646 486907375 /nfs/dbraw/zinc/90/73/75/486907375.db2.gz IJBGDJOQXJKEOS-SNVBAGLBSA-N 2 1 188.290 1.277 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2ccsc2)CCC1 88052166 486908788 /nfs/dbraw/zinc/90/87/88/486908788.db2.gz VLPANMNSSFAXGQ-UHFFFAOYSA-N 2 1 196.319 1.719 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2cccs2)CCC1 88051825 486908803 /nfs/dbraw/zinc/90/88/03/486908803.db2.gz NGQMKLOVABYKEX-UHFFFAOYSA-N 2 1 196.319 1.719 20 0 ADADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCC1 677983689 486910161 /nfs/dbraw/zinc/91/01/61/486910161.db2.gz CAIADKCRXWCZMW-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCC1 677983689 486910165 /nfs/dbraw/zinc/91/01/65/486910165.db2.gz CAIADKCRXWCZMW-UHFFFAOYSA-N 2 1 193.294 1.676 20 0 ADADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CC1 677980781 486910186 /nfs/dbraw/zinc/91/01/86/486910186.db2.gz JGQSZZKWVYGTLG-UHFFFAOYSA-N 2 1 179.267 1.286 20 0 ADADMP Cc1[nH+]ccn1CC[N@H+](C)C1CC1 677980781 486910191 /nfs/dbraw/zinc/91/01/91/486910191.db2.gz JGQSZZKWVYGTLG-UHFFFAOYSA-N 2 1 179.267 1.286 20 0 ADADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)C 677982672 486910275 /nfs/dbraw/zinc/91/02/75/486910275.db2.gz RZSAERWOTBWPQI-UHFFFAOYSA-N 2 1 195.310 1.779 20 0 ADADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)C 677982672 486910277 /nfs/dbraw/zinc/91/02/77/486910277.db2.gz RZSAERWOTBWPQI-UHFFFAOYSA-N 2 1 195.310 1.779 20 0 ADADMP CCC[N@H+](CC)CCn1cc[nH+]c1C 677981481 486910547 /nfs/dbraw/zinc/91/05/47/486910547.db2.gz DJTKPJBQWSEHDA-UHFFFAOYSA-N 2 1 195.310 1.923 20 0 ADADMP CCC[N@@H+](CC)CCn1cc[nH+]c1C 677981481 486910552 /nfs/dbraw/zinc/91/05/52/486910552.db2.gz DJTKPJBQWSEHDA-UHFFFAOYSA-N 2 1 195.310 1.923 20 0 ADADMP CCC[N@H+](C)CCn1cc[nH+]c1C 677982815 486910696 /nfs/dbraw/zinc/91/06/96/486910696.db2.gz VWLIRMCRPQJKJK-UHFFFAOYSA-N 2 1 181.283 1.533 20 0 ADADMP CCC[N@@H+](C)CCn1cc[nH+]c1C 677982815 486910700 /nfs/dbraw/zinc/91/07/00/486910700.db2.gz VWLIRMCRPQJKJK-UHFFFAOYSA-N 2 1 181.283 1.533 20 0 ADADMP CC[C@@H]1C[N@H+](C(C)C)CC[C@@H]1[NH3+] 89065031 486910712 /nfs/dbraw/zinc/91/07/12/486910712.db2.gz YMGXWYLGNVEXDY-ZJUUUORDSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H]1C[N@@H+](CC)CC[C@@H]1[NH3+] 89065030 486910943 /nfs/dbraw/zinc/91/09/43/486910943.db2.gz XPFVOJPNTIEVNC-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H]1C[N@@H+](CC)CC[C@@H]1[NH3+] 89065029 486910956 /nfs/dbraw/zinc/91/09/56/486910956.db2.gz XPFVOJPNTIEVNC-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H]1C[N@H+](C(C)C)CC[C@@H]1[NH3+] 89065032 486911037 /nfs/dbraw/zinc/91/10/37/486911037.db2.gz YMGXWYLGNVEXDY-UWVGGRQHSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 93978095 486911858 /nfs/dbraw/zinc/91/18/58/486911858.db2.gz UZNDWQVFINWWHK-NHCYSSNCSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 93978095 486911861 /nfs/dbraw/zinc/91/18/61/486911861.db2.gz UZNDWQVFINWWHK-NHCYSSNCSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 93978092 486911908 /nfs/dbraw/zinc/91/19/08/486911908.db2.gz UZNDWQVFINWWHK-JFGNBEQYSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 93978092 486911912 /nfs/dbraw/zinc/91/19/12/486911912.db2.gz UZNDWQVFINWWHK-JFGNBEQYSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 91375463 486912032 /nfs/dbraw/zinc/91/20/32/486912032.db2.gz GYLHSAHYVQCKII-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 91375463 486912037 /nfs/dbraw/zinc/91/20/37/486912037.db2.gz GYLHSAHYVQCKII-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 91375460 486912084 /nfs/dbraw/zinc/91/20/84/486912084.db2.gz GYLHSAHYVQCKII-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 91375460 486912088 /nfs/dbraw/zinc/91/20/88/486912088.db2.gz GYLHSAHYVQCKII-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 91375465 486912136 /nfs/dbraw/zinc/91/21/36/486912136.db2.gz GYLHSAHYVQCKII-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 91375465 486912141 /nfs/dbraw/zinc/91/21/41/486912141.db2.gz GYLHSAHYVQCKII-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 93978093 486912199 /nfs/dbraw/zinc/91/21/99/486912199.db2.gz UZNDWQVFINWWHK-JBLDHEPKSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 93978093 486912204 /nfs/dbraw/zinc/91/22/04/486912204.db2.gz UZNDWQVFINWWHK-JBLDHEPKSA-N 2 1 196.338 1.857 20 0 ADADMP CC[C@H](C)[N@H+](C)CCn1cc[nH+]c1C 677998953 486912236 /nfs/dbraw/zinc/91/22/36/486912236.db2.gz GDYHQUAFJNLHSW-JTQLQIEISA-N 2 1 195.310 1.922 20 0 ADADMP CC[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C 677998953 486912240 /nfs/dbraw/zinc/91/22/40/486912240.db2.gz GDYHQUAFJNLHSW-JTQLQIEISA-N 2 1 195.310 1.922 20 0 ADADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 93978094 486912254 /nfs/dbraw/zinc/91/22/54/486912254.db2.gz UZNDWQVFINWWHK-SCVCMEIPSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 93978094 486912259 /nfs/dbraw/zinc/91/22/59/486912259.db2.gz UZNDWQVFINWWHK-SCVCMEIPSA-N 2 1 196.338 1.857 20 0 ADADMP CC[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C 677998957 486912338 /nfs/dbraw/zinc/91/23/38/486912338.db2.gz GDYHQUAFJNLHSW-SNVBAGLBSA-N 2 1 195.310 1.922 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C 677998957 486912342 /nfs/dbraw/zinc/91/23/42/486912342.db2.gz GDYHQUAFJNLHSW-SNVBAGLBSA-N 2 1 195.310 1.922 20 0 ADADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@H]([NH3+])C2)C1 91375459 486912447 /nfs/dbraw/zinc/91/24/47/486912447.db2.gz GYLHSAHYVQCKII-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H]([NH3+])C2)C1 91375459 486912450 /nfs/dbraw/zinc/91/24/50/486912450.db2.gz GYLHSAHYVQCKII-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@H+](C)C1CCC1 678079343 486916253 /nfs/dbraw/zinc/91/62/53/486916253.db2.gz VKXFNJFBUHSGAH-GFCCVEGCSA-N 2 1 196.338 1.955 20 0 ADADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCC1 678079343 486916256 /nfs/dbraw/zinc/91/62/56/486916256.db2.gz VKXFNJFBUHSGAH-GFCCVEGCSA-N 2 1 196.338 1.955 20 0 ADADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCC1 678079343 486916262 /nfs/dbraw/zinc/91/62/62/486916262.db2.gz VKXFNJFBUHSGAH-GFCCVEGCSA-N 2 1 196.338 1.955 20 0 ADADMP CCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C 678074554 486916296 /nfs/dbraw/zinc/91/62/96/486916296.db2.gz MVJZDEWYEXXBMI-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C 678074554 486916298 /nfs/dbraw/zinc/91/62/98/486916298.db2.gz MVJZDEWYEXXBMI-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CCC[NH+](C)CC[C@@H]1CCC[N@H+]1C 678074554 486916304 /nfs/dbraw/zinc/91/63/04/486916304.db2.gz MVJZDEWYEXXBMI-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@H+](C)C1CC1 678073148 486916462 /nfs/dbraw/zinc/91/64/62/486916462.db2.gz NIEQNMSVRBNXQF-SNVBAGLBSA-N 2 1 182.311 1.565 20 0 ADADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 678073148 486916467 /nfs/dbraw/zinc/91/64/67/486916467.db2.gz NIEQNMSVRBNXQF-SNVBAGLBSA-N 2 1 182.311 1.565 20 0 ADADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 678073148 486916471 /nfs/dbraw/zinc/91/64/71/486916471.db2.gz NIEQNMSVRBNXQF-SNVBAGLBSA-N 2 1 182.311 1.565 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@H+](C)C1CCC1 678079345 486916517 /nfs/dbraw/zinc/91/65/17/486916517.db2.gz VKXFNJFBUHSGAH-LBPRGKRZSA-N 2 1 196.338 1.955 20 0 ADADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCC1 678079345 486916524 /nfs/dbraw/zinc/91/65/24/486916524.db2.gz VKXFNJFBUHSGAH-LBPRGKRZSA-N 2 1 196.338 1.955 20 0 ADADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCC1 678079345 486916530 /nfs/dbraw/zinc/91/65/30/486916530.db2.gz VKXFNJFBUHSGAH-LBPRGKRZSA-N 2 1 196.338 1.955 20 0 ADADMP CCC[N@@H+](C)CC[C@H]1CCC[NH+]1C 678074553 486916655 /nfs/dbraw/zinc/91/66/55/486916655.db2.gz MVJZDEWYEXXBMI-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CCC[NH+](C)CC[C@H]1CCC[N@@H+]1C 678074553 486916658 /nfs/dbraw/zinc/91/66/58/486916658.db2.gz MVJZDEWYEXXBMI-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CCC[NH+](C)CC[C@H]1CCC[N@H+]1C 678074553 486916663 /nfs/dbraw/zinc/91/66/63/486916663.db2.gz MVJZDEWYEXXBMI-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccncc1 107778765 486921145 /nfs/dbraw/zinc/92/11/45/486921145.db2.gz GFLYWRJIPYFQFI-LLVKDONJSA-N 2 1 193.294 1.155 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@H+](C)C1CC1 678073142 486916986 /nfs/dbraw/zinc/91/69/86/486916986.db2.gz NIEQNMSVRBNXQF-JTQLQIEISA-N 2 1 182.311 1.565 20 0 ADADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 678073142 486916989 /nfs/dbraw/zinc/91/69/89/486916989.db2.gz NIEQNMSVRBNXQF-JTQLQIEISA-N 2 1 182.311 1.565 20 0 ADADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 678073142 486916992 /nfs/dbraw/zinc/91/69/92/486916992.db2.gz NIEQNMSVRBNXQF-JTQLQIEISA-N 2 1 182.311 1.565 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C)cc1 107778245 486921311 /nfs/dbraw/zinc/92/13/11/486921311.db2.gz PZEDLFBDCHJWPW-LBPRGKRZSA-N 2 1 192.306 1.822 20 0 ADADMP CC[NH2+]CC[NH2+]CC(CC)CC 107801837 486921346 /nfs/dbraw/zinc/92/13/46/486921346.db2.gz RDRSWXXLDFZLTC-UHFFFAOYSA-N 2 1 172.316 1.622 20 0 ADADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccncc1 107778767 486921396 /nfs/dbraw/zinc/92/13/96/486921396.db2.gz GFLYWRJIPYFQFI-NSHDSACASA-N 2 1 193.294 1.155 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 107787249 486921462 /nfs/dbraw/zinc/92/14/62/486921462.db2.gz YSPFVFWZWWWQPU-LLVKDONJSA-N 2 1 196.269 1.653 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1 107787246 486921471 /nfs/dbraw/zinc/92/14/71/486921471.db2.gz YSPFVFWZWWWQPU-NSHDSACASA-N 2 1 196.269 1.653 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C)cc1 107778249 486921492 /nfs/dbraw/zinc/92/14/92/486921492.db2.gz PZEDLFBDCHJWPW-GFCCVEGCSA-N 2 1 192.306 1.822 20 0 ADADMP CC(C)(C)[C@@H]1CC[N@@H+](CCC[NH3+])C1 108297439 486922288 /nfs/dbraw/zinc/92/22/88/486922288.db2.gz GFPHHZWAYNRDBE-SNVBAGLBSA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)[C@@H]1CCCC[N@H+]1CCC[NH3+] 108297446 486922318 /nfs/dbraw/zinc/92/23/18/486922318.db2.gz KSBFJHARKOZRSD-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)(C)[C@H]1CC[N@@H+](CCC[NH3+])C1 108297443 486922336 /nfs/dbraw/zinc/92/23/36/486922336.db2.gz GFPHHZWAYNRDBE-JTQLQIEISA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@@H]1CC[N@@H+](CCC[NH3+])C1 108283815 486922407 /nfs/dbraw/zinc/92/24/07/486922407.db2.gz YGECCMOEQJCUBZ-SECBINFHSA-N 2 1 156.273 1.067 20 0 ADADMP CC(C)(C)[C@@H]1CCC[N@H+]1CCC[NH3+] 108297452 486922517 /nfs/dbraw/zinc/92/25/17/486922517.db2.gz JHWWPFIGEDNJND-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@H]1CC[N@@H+](CCC[NH3+])C1 108283818 486922637 /nfs/dbraw/zinc/92/26/37/486922637.db2.gz YGECCMOEQJCUBZ-VIFPVBQESA-N 2 1 156.273 1.067 20 0 ADADMP CC(C)[C@H]1CCCC[N@H+]1CCC[NH3+] 108297448 486922693 /nfs/dbraw/zinc/92/26/93/486922693.db2.gz KSBFJHARKOZRSD-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)(C)[C@H]1CCC[N@H+]1CCC[NH3+] 108297456 486922746 /nfs/dbraw/zinc/92/27/46/486922746.db2.gz JHWWPFIGEDNJND-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CCC[N@@H+](C)CCC[NH3+] 116324022 486926671 /nfs/dbraw/zinc/92/66/71/486926671.db2.gz LPJOROUCWXKJJR-UHFFFAOYSA-N 2 1 172.316 1.703 20 0 ADADMP CCCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122335655 486932178 /nfs/dbraw/zinc/93/21/78/486932178.db2.gz ILPFTGVKDDKZSK-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122330373 486932357 /nfs/dbraw/zinc/93/23/57/486932357.db2.gz JMLRZNLLJORRML-DCAQKATOSA-N 2 1 184.327 1.702 20 0 ADADMP CCCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122335431 486932829 /nfs/dbraw/zinc/93/28/29/486932829.db2.gz ILPFTGVKDDKZSK-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP C[NH2+]CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 122484233 486933925 /nfs/dbraw/zinc/93/39/25/486933925.db2.gz RTANQUGDEIOFOI-PHIMTYICSA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H]1CC[NH2+]C1 136183574 486945716 /nfs/dbraw/zinc/94/57/16/486945716.db2.gz IYAOEKAWTPHFHV-QJPTWQEYSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC[NH2+]C1 136183632 486945876 /nfs/dbraw/zinc/94/58/76/486945876.db2.gz IYAOEKAWTPHFHV-IJLUTSLNSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C 144521880 486950192 /nfs/dbraw/zinc/95/01/92/486950192.db2.gz SDGMQXRHQYBRNH-BDAKNGLRSA-N 2 1 158.289 1.230 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C 144521507 486950332 /nfs/dbraw/zinc/95/03/32/486950332.db2.gz SDGMQXRHQYBRNH-RKDXNWHRSA-N 2 1 158.289 1.230 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]C 144522077 486950584 /nfs/dbraw/zinc/95/05/84/486950584.db2.gz SDGMQXRHQYBRNH-IUCAKERBSA-N 2 1 158.289 1.230 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C 144521698 486950653 /nfs/dbraw/zinc/95/06/53/486950653.db2.gz SDGMQXRHQYBRNH-DTWKUNHWSA-N 2 1 158.289 1.230 20 0 ADADMP CCC[C@@H](CC)[NH2+]CC[NH3+] 146970295 486953266 /nfs/dbraw/zinc/95/32/66/486953266.db2.gz KZDRESHZFXQCQL-MRVPVSSYSA-N 2 1 144.262 1.113 20 0 ADADMP CCC[C@H](CC)[NH2+]CC[NH3+] 146970489 486953296 /nfs/dbraw/zinc/95/32/96/486953296.db2.gz KZDRESHZFXQCQL-QMMMGPOBSA-N 2 1 144.262 1.113 20 0 ADADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC=CCC1 679321624 486958376 /nfs/dbraw/zinc/95/83/76/486958376.db2.gz LGJHXGBKBHZNLP-LBPRGKRZSA-N 2 1 194.322 1.733 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC=CCC1 679321624 486958383 /nfs/dbraw/zinc/95/83/83/486958383.db2.gz LGJHXGBKBHZNLP-LBPRGKRZSA-N 2 1 194.322 1.733 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC=CCC1 679321624 486958390 /nfs/dbraw/zinc/95/83/90/486958390.db2.gz LGJHXGBKBHZNLP-LBPRGKRZSA-N 2 1 194.322 1.733 20 0 ADADMP Cc1cc(C)cc([C@H](C)[NH2+]CC[NH3+])c1 148358063 486959011 /nfs/dbraw/zinc/95/90/11/486959011.db2.gz AQIOTYNHVJPECG-NSHDSACASA-N 2 1 192.306 1.913 20 0 ADADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC=CCC1 679321623 486959107 /nfs/dbraw/zinc/95/91/07/486959107.db2.gz LGJHXGBKBHZNLP-GFCCVEGCSA-N 2 1 194.322 1.733 20 0 ADADMP Cc1cc(C)cc([C@@H](C)[NH2+]CC[NH3+])c1 148357863 486959110 /nfs/dbraw/zinc/95/91/10/486959110.db2.gz AQIOTYNHVJPECG-LLVKDONJSA-N 2 1 192.306 1.913 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC=CCC1 679321623 486959112 /nfs/dbraw/zinc/95/91/12/486959112.db2.gz LGJHXGBKBHZNLP-GFCCVEGCSA-N 2 1 194.322 1.733 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC=CCC1 679321623 486959117 /nfs/dbraw/zinc/95/91/17/486959117.db2.gz LGJHXGBKBHZNLP-GFCCVEGCSA-N 2 1 194.322 1.733 20 0 ADADMP CCC(CC)C[N@@H+]1CC[C@@H]([NH2+]C)C1 150051634 486960705 /nfs/dbraw/zinc/96/07/05/486960705.db2.gz NICQDLNWZUGRLA-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@@H]([NH2+]C)C1 150051634 486960710 /nfs/dbraw/zinc/96/07/10/486960710.db2.gz NICQDLNWZUGRLA-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CCC(CC)C[N@@H+]1CC[C@H]([NH2+]C)C1 150051436 486961064 /nfs/dbraw/zinc/96/10/64/486961064.db2.gz NICQDLNWZUGRLA-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@H]([NH2+]C)C1 150051436 486961066 /nfs/dbraw/zinc/96/10/66/486961066.db2.gz NICQDLNWZUGRLA-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CCC(C)(C)C)C1 150045573 486961119 /nfs/dbraw/zinc/96/11/19/486961119.db2.gz DLXMBTIAFFGBND-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CCC(C)(C)C)C1 150045573 486961124 /nfs/dbraw/zinc/96/11/24/486961124.db2.gz DLXMBTIAFFGBND-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CCC(C)(C)C)C1 150045357 486961498 /nfs/dbraw/zinc/96/14/98/486961498.db2.gz DLXMBTIAFFGBND-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CCC(C)(C)C)C1 150045357 486961501 /nfs/dbraw/zinc/96/15/01/486961501.db2.gz DLXMBTIAFFGBND-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCF)C1 157390291 486963318 /nfs/dbraw/zinc/96/33/18/486963318.db2.gz KGBWYCOWDPONAZ-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[NH2+]CC[NH2+]CCC1CCCCC1 157278452 486963706 /nfs/dbraw/zinc/96/37/06/486963706.db2.gz KHAGLGARLNTEIA-UHFFFAOYSA-N 2 1 184.327 1.766 20 0 ADADMP CCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 156915588 486963824 /nfs/dbraw/zinc/96/38/24/486963824.db2.gz ZDBGXMGRAKYOLN-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CC[NH3+] 157228700 486963976 /nfs/dbraw/zinc/96/39/76/486963976.db2.gz MKDXSEGTHMPSNH-SECBINFHSA-N 2 1 196.269 1.305 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 156915749 486964140 /nfs/dbraw/zinc/96/41/40/486964140.db2.gz ZDBGXMGRAKYOLN-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCF)C1 157389827 486964161 /nfs/dbraw/zinc/96/41/61/486964161.db2.gz KGBWYCOWDPONAZ-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CC[NH3+] 157228555 486964180 /nfs/dbraw/zinc/96/41/80/486964180.db2.gz MKDXSEGTHMPSNH-VIFPVBQESA-N 2 1 196.269 1.305 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCF)C1 157390137 486964190 /nfs/dbraw/zinc/96/41/90/486964190.db2.gz KGBWYCOWDPONAZ-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCF)C1 157389967 486964215 /nfs/dbraw/zinc/96/42/15/486964215.db2.gz KGBWYCOWDPONAZ-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 159504854 486973075 /nfs/dbraw/zinc/97/30/75/486973075.db2.gz TZRQFAZYMYPQEG-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 159504982 486973616 /nfs/dbraw/zinc/97/36/16/486973616.db2.gz TZRQFAZYMYPQEG-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CCC[NH2+][C@H](C)C[NH3+] 162076000 486980764 /nfs/dbraw/zinc/98/07/64/486980764.db2.gz OLONTXQJPFMELL-SECBINFHSA-N 2 1 158.289 1.359 20 0 ADADMP Cc1ccccc1C[NH2+][C@H](C)C[NH3+] 162057471 486980845 /nfs/dbraw/zinc/98/08/45/486980845.db2.gz PRKXTUCYOSUMHM-SNVBAGLBSA-N 2 1 178.279 1.432 20 0 ADADMP Cc1cccc(C[NH2+][C@H](C)C[NH3+])c1C 161977948 486980863 /nfs/dbraw/zinc/98/08/63/486980863.db2.gz MQKFHZGJCAFNHV-SNVBAGLBSA-N 2 1 192.306 1.740 20 0 ADADMP C[C@H](C[NH3+])[NH2+]CCC(C)(C)C 161996695 486980956 /nfs/dbraw/zinc/98/09/56/486980956.db2.gz QVBXJKUVXRWDJB-MRVPVSSYSA-N 2 1 158.289 1.359 20 0 ADADMP Cc1cccc(C[NH2+][C@H](C)C[NH3+])c1 162074307 486980984 /nfs/dbraw/zinc/98/09/84/486980984.db2.gz HYMKGUKORBJPQM-SNVBAGLBSA-N 2 1 178.279 1.432 20 0 ADADMP C[C@H](C[NH3+])[NH2+]CC1CCCCCC1 162003885 486981064 /nfs/dbraw/zinc/98/10/64/486981064.db2.gz XQGDLJGMKZWMSZ-SNVBAGLBSA-N 2 1 184.327 1.894 20 0 ADADMP C[C@H](C[NH3+])[NH2+]CCC1CCCCC1 162018001 486981072 /nfs/dbraw/zinc/98/10/72/486981072.db2.gz QHQYLXITDVFYOC-SNVBAGLBSA-N 2 1 184.327 1.894 20 0 ADADMP C[C@H](C[NH3+])[NH2+]CC1CCCCC1 161998736 486981194 /nfs/dbraw/zinc/98/11/94/486981194.db2.gz SKNXNIYHLVRICC-SECBINFHSA-N 2 1 170.300 1.504 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[NH3+])c(C)c1 162036912 486981212 /nfs/dbraw/zinc/98/12/12/486981212.db2.gz JISJKKAXCMAOAC-LLVKDONJSA-N 2 1 192.306 1.740 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H](C)C[NH2+]C 162104106 486981273 /nfs/dbraw/zinc/98/12/73/486981273.db2.gz OMGRXSAFJGGKCX-BDAKNGLRSA-N 2 1 158.289 1.230 20 0 ADADMP COc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 162083475 486981303 /nfs/dbraw/zinc/98/13/03/486981303.db2.gz SDPKHWCRUIIPCQ-SECBINFHSA-N 2 1 194.278 1.132 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 161976369 486981416 /nfs/dbraw/zinc/98/14/16/486981416.db2.gz CKQZZEZYHQULDB-SNVBAGLBSA-N 2 1 178.279 1.432 20 0 ADADMP CCc1ccc(C[NH2+][C@H](C)C[NH3+])cc1 161998992 486981435 /nfs/dbraw/zinc/98/14/35/486981435.db2.gz VOPNUSWLTSCNMS-SNVBAGLBSA-N 2 1 192.306 1.686 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[NH3+])s1 162072414 486981473 /nfs/dbraw/zinc/98/14/73/486981473.db2.gz AHAZKOVWCCEOQZ-SSDOTTSWSA-N 2 1 184.308 1.493 20 0 ADADMP CCC(CC)C[NH2+][C@H](C)C[NH3+] 161997731 486981514 /nfs/dbraw/zinc/98/15/14/486981514.db2.gz FFKZGTWRZHRHPU-MRVPVSSYSA-N 2 1 158.289 1.359 20 0 ADADMP CCc1ccc(C[NH2+][C@H](C)C[NH3+])s1 162002870 486981545 /nfs/dbraw/zinc/98/15/45/486981545.db2.gz JVEZJUDECRYECX-MRVPVSSYSA-N 2 1 198.335 1.747 20 0 ADADMP Cc1cc(C)cc(C[NH2+][C@H](C)C[NH3+])c1 162036355 486981609 /nfs/dbraw/zinc/98/16/09/486981609.db2.gz DZLLAWZHUWKKEY-LLVKDONJSA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccc(C)c(C[NH2+][C@H](C)C[NH3+])c1 161977693 486981653 /nfs/dbraw/zinc/98/16/53/486981653.db2.gz IQFXHUGNQKIJAQ-LLVKDONJSA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccsc1C[NH2+][C@H](C)C[NH3+] 162073555 486981676 /nfs/dbraw/zinc/98/16/76/486981676.db2.gz UHSLIGHTHFGSIX-MRVPVSSYSA-N 2 1 184.308 1.493 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[NH3+])cc1C 162000512 486981732 /nfs/dbraw/zinc/98/17/32/486981732.db2.gz MVDMZPADVSWLGG-LLVKDONJSA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccc(C[N@H+](C)CCC[NH3+])cn1 162304420 486981992 /nfs/dbraw/zinc/98/19/92/486981992.db2.gz UQIVAHDVNKVGLU-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])cn1 162304420 486981999 /nfs/dbraw/zinc/98/19/99/486981999.db2.gz UQIVAHDVNKVGLU-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CC[C@H](C)C[NH2+][C@H](C)C[NH2+]C 162104466 486982681 /nfs/dbraw/zinc/98/26/81/486982681.db2.gz OMGRXSAFJGGKCX-DTWKUNHWSA-N 2 1 158.289 1.230 20 0 ADADMP CC[C@@H](C)C[NH2+][C@H](C)C[NH2+]C 162104342 486982724 /nfs/dbraw/zinc/98/27/24/486982724.db2.gz OMGRXSAFJGGKCX-RKDXNWHRSA-N 2 1 158.289 1.230 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]CC(C)(C)C 162150788 486982659 /nfs/dbraw/zinc/98/26/59/486982659.db2.gz XIHKZPJLGQKWID-MRVPVSSYSA-N 2 1 158.289 1.230 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]CCCC(C)C 162181481 486982848 /nfs/dbraw/zinc/98/28/48/486982848.db2.gz CHDQDTALTGFJGW-SNVBAGLBSA-N 2 1 172.316 1.620 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H](C)C[NH2+]C 162104216 486982893 /nfs/dbraw/zinc/98/28/93/486982893.db2.gz OMGRXSAFJGGKCX-IUCAKERBSA-N 2 1 158.289 1.230 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]CCCC(C)C 162181399 486982910 /nfs/dbraw/zinc/98/29/10/486982910.db2.gz CHDQDTALTGFJGW-JTQLQIEISA-N 2 1 172.316 1.620 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]CC(C)(C)C 162150664 486982968 /nfs/dbraw/zinc/98/29/68/486982968.db2.gz XIHKZPJLGQKWID-QMMMGPOBSA-N 2 1 158.289 1.230 20 0 ADADMP C[C@H]1CCC[C@@H](C)[N@H+]1C[C@H]1CC[NH2+]C1 162334681 486983119 /nfs/dbraw/zinc/98/31/19/486983119.db2.gz WSERZJSKHUMNJW-TUAOUCFPSA-N 2 1 196.338 1.859 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@H](C)C(C)(C)C 162979833 486984747 /nfs/dbraw/zinc/98/47/47/486984747.db2.gz IROIJUJZFDUTNR-JTQLQIEISA-N 2 1 186.343 1.868 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@@H](C)C(C)(C)C 162979724 486985423 /nfs/dbraw/zinc/98/54/23/486985423.db2.gz IROIJUJZFDUTNR-SNVBAGLBSA-N 2 1 186.343 1.868 20 0 ADADMP C[C@@H](C[N@H+]1CC[C@H](C[NH3+])C1)C(C)(C)C 162991048 486985481 /nfs/dbraw/zinc/98/54/81/486985481.db2.gz ZFYXQTUTZIMOIK-WDEREUQCSA-N 2 1 198.354 1.949 20 0 ADADMP C[C@H](C[N@H+]1CC[C@H](C[NH3+])C1)C(C)(C)C 162991164 486985505 /nfs/dbraw/zinc/98/55/05/486985505.db2.gz ZFYXQTUTZIMOIK-GHMZBOCLSA-N 2 1 198.354 1.949 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H](C)C(C)(C)C 162990821 486985572 /nfs/dbraw/zinc/98/55/72/486985572.db2.gz NKNBLKTXEHMHGR-VIFPVBQESA-N 2 1 172.316 1.478 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H](C)C(C)(C)C 162990930 486985663 /nfs/dbraw/zinc/98/56/63/486985663.db2.gz NKNBLKTXEHMHGR-SECBINFHSA-N 2 1 172.316 1.478 20 0 ADADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC3)C[C@H]12 164379445 486987548 /nfs/dbraw/zinc/98/75/48/486987548.db2.gz WAVQNTHHLQKMAJ-SDDRHHMPSA-N 2 1 194.322 1.456 20 0 ADADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 164379328 486987572 /nfs/dbraw/zinc/98/75/72/486987572.db2.gz WAVQNTHHLQKMAJ-GRYCIOLGSA-N 2 1 194.322 1.456 20 0 ADADMP CC(C)CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 165548436 486992001 /nfs/dbraw/zinc/99/20/01/486992001.db2.gz KBSGTOFNMBHTSA-TXEJJXNPSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCCC(C)C 165552519 486992061 /nfs/dbraw/zinc/99/20/61/486992061.db2.gz CBWRIOJYPVVSIG-UHFFFAOYSA-N 2 1 186.343 1.964 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C1CCCC1 167492131 487000171 /nfs/dbraw/zinc/00/01/71/487000171.db2.gz XDNYKZFFHQQVBQ-USWWRNFRSA-N 2 1 196.338 1.750 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]1C 167484031 487000282 /nfs/dbraw/zinc/00/02/82/487000282.db2.gz GLJOLXFYLLLCLK-HBNTYKKESA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C 167483266 487000303 /nfs/dbraw/zinc/00/03/03/487000303.db2.gz BOMHKXAIVHAVEC-BBBLOLIVSA-N 2 1 184.327 1.605 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CCCC[NH2+]1 167542782 487000450 /nfs/dbraw/zinc/00/04/50/487000450.db2.gz WDJIAVGDVCMIHG-VWYCJHECSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CCCC[NH2+]1 167542593 487000747 /nfs/dbraw/zinc/00/07/47/487000747.db2.gz WDJIAVGDVCMIHG-MXWKQRLJSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C 167483481 487000796 /nfs/dbraw/zinc/00/07/96/487000796.db2.gz BOMHKXAIVHAVEC-UTLUCORTSA-N 2 1 184.327 1.605 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]1C 167483820 487000880 /nfs/dbraw/zinc/00/08/80/487000880.db2.gz GLJOLXFYLLLCLK-GARJFASQSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H](C[NH3+])C1CCCC1 167491902 487001040 /nfs/dbraw/zinc/00/10/40/487001040.db2.gz XDNYKZFFHQQVBQ-JLLWLGSASA-N 2 1 196.338 1.750 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCF 168975289 487007088 /nfs/dbraw/zinc/00/70/88/487007088.db2.gz VENQSXKQJHXCRI-DTWKUNHWSA-N 2 1 174.263 1.158 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCF 168975190 487007148 /nfs/dbraw/zinc/00/71/48/487007148.db2.gz VENQSXKQJHXCRI-RKDXNWHRSA-N 2 1 174.263 1.158 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCF 168975466 487007379 /nfs/dbraw/zinc/00/73/79/487007379.db2.gz VENQSXKQJHXCRI-IUCAKERBSA-N 2 1 174.263 1.158 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCF 168975374 487007693 /nfs/dbraw/zinc/00/76/93/487007693.db2.gz VENQSXKQJHXCRI-BDAKNGLRSA-N 2 1 174.263 1.158 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 201530554 487017388 /nfs/dbraw/zinc/01/73/88/487017388.db2.gz LPYNCKMTSXWOJE-UWVGGRQHSA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 211139417 487020925 /nfs/dbraw/zinc/02/09/25/487020925.db2.gz FSSLZJMTMQHBDT-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C(C)(C)C 219134153 487029611 /nfs/dbraw/zinc/02/96/11/487029611.db2.gz ZQKOWMLWRUCYRZ-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C(C)(C)C 219134236 487029620 /nfs/dbraw/zinc/02/96/20/487029620.db2.gz ZQKOWMLWRUCYRZ-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 224205544 487038040 /nfs/dbraw/zinc/03/80/40/487038040.db2.gz ZMTJTDGBFDHKFA-UWVGGRQHSA-N 2 1 170.300 1.313 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 224205487 487038943 /nfs/dbraw/zinc/03/89/43/487038943.db2.gz ZMTJTDGBFDHKFA-ZJUUUORDSA-N 2 1 170.300 1.313 20 0 ADADMP CC[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 224290210 487039292 /nfs/dbraw/zinc/03/92/92/487039292.db2.gz BOZQSHZHTMTAPL-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 224290170 487039422 /nfs/dbraw/zinc/03/94/22/487039422.db2.gz BOZQSHZHTMTAPL-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CC1 682027818 487040634 /nfs/dbraw/zinc/04/06/34/487040634.db2.gz JIHIMAWYYFKXPJ-UHFFFAOYSA-N 2 1 196.338 1.957 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@@H]1C 224716096 487040881 /nfs/dbraw/zinc/04/08/81/487040881.db2.gz CPFYSOWKGWFGJI-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH3+] 225138220 487041080 /nfs/dbraw/zinc/04/10/80/487041080.db2.gz ILKNDZFFIZSMJP-UTUOFQBUSA-N 2 1 198.354 1.996 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@@H]1C 224716051 487041091 /nfs/dbraw/zinc/04/10/91/487041091.db2.gz CPFYSOWKGWFGJI-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226013062 487045364 /nfs/dbraw/zinc/04/53/64/487045364.db2.gz OUVJYMWCEHKUPE-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 226013076 487045694 /nfs/dbraw/zinc/04/56/94/487045694.db2.gz OUVJYMWCEHKUPE-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 226015644 487045782 /nfs/dbraw/zinc/04/57/82/487045782.db2.gz WVWDQIGKUMKKJG-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 226015659 487045865 /nfs/dbraw/zinc/04/58/65/487045865.db2.gz WVWDQIGKUMKKJG-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1C[C@H]([NH2+][C@H](C)C2CC2)CC[N@@H+]1C 226327507 487048774 /nfs/dbraw/zinc/04/87/74/487048774.db2.gz UZNDWQVFINWWHK-HOSYDEDBSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@H]([NH2+][C@H](C)C2CC2)CC[N@H+]1C 226327507 487048778 /nfs/dbraw/zinc/04/87/78/487048778.db2.gz UZNDWQVFINWWHK-HOSYDEDBSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@@H]([NH2+][C@H](C)C2CC2)CC[N@@H+]1C 226327518 487049122 /nfs/dbraw/zinc/04/91/22/487049122.db2.gz UZNDWQVFINWWHK-UMNHJUIQSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@@H]([NH2+][C@H](C)C2CC2)CC[N@H+]1C 226327518 487049125 /nfs/dbraw/zinc/04/91/25/487049125.db2.gz UZNDWQVFINWWHK-UMNHJUIQSA-N 2 1 196.338 1.857 20 0 ADADMP CC(C)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 226436257 487051399 /nfs/dbraw/zinc/05/13/99/487051399.db2.gz FUZBSYGGVDLBOQ-NSHDSACASA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 226436252 487051786 /nfs/dbraw/zinc/05/17/86/487051786.db2.gz FUZBSYGGVDLBOQ-LLVKDONJSA-N 2 1 196.338 1.859 20 0 ADADMP C1C[C@@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@@H]2C1 226438464 487051941 /nfs/dbraw/zinc/05/19/41/487051941.db2.gz UYBOYYRSNPCLMU-SDDRHHMPSA-N 2 1 194.322 1.328 20 0 ADADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCC1 226438807 487052497 /nfs/dbraw/zinc/05/24/97/487052497.db2.gz JKLKDTVTFMUYNW-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 226628927 487052620 /nfs/dbraw/zinc/05/26/20/487052620.db2.gz OGGVKEPFCSHHDO-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCC1 226438813 487052859 /nfs/dbraw/zinc/05/28/59/487052859.db2.gz JKLKDTVTFMUYNW-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 226628921 487052923 /nfs/dbraw/zinc/05/29/23/487052923.db2.gz OGGVKEPFCSHHDO-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH2+]C)C1 227311542 487054666 /nfs/dbraw/zinc/05/46/66/487054666.db2.gz HICAUSYXOBNYNG-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH2+]C)C1 227311542 487054667 /nfs/dbraw/zinc/05/46/67/487054667.db2.gz HICAUSYXOBNYNG-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](C[NH2+]C)C1 227208648 487054704 /nfs/dbraw/zinc/05/47/04/487054704.db2.gz BIQCKLFNCVIKNV-QWRGUYRKSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H](C[NH2+]C)C1 227208639 487054723 /nfs/dbraw/zinc/05/47/23/487054723.db2.gz BIQCKLFNCVIKNV-MNOVXSKESA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CC[C@@H]([NH2+]C)C1 227311531 487054785 /nfs/dbraw/zinc/05/47/85/487054785.db2.gz HICAUSYXOBNYNG-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H]([NH2+]C)C1 227311531 487054791 /nfs/dbraw/zinc/05/47/91/487054791.db2.gz HICAUSYXOBNYNG-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP Cc1ccsc1C[N@@H+](C)CCC[NH3+] 227745252 487055990 /nfs/dbraw/zinc/05/59/90/487055990.db2.gz XKAYOPPAVRAWTC-UHFFFAOYSA-N 2 1 198.335 1.837 20 0 ADADMP Cc1ccncc1C[N@H+](C)CCC[NH3+] 227744692 487056306 /nfs/dbraw/zinc/05/63/06/487056306.db2.gz OMNQAUYXVXGXDZ-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1ccncc1C[N@@H+](C)CCC[NH3+] 227744692 487056309 /nfs/dbraw/zinc/05/63/09/487056309.db2.gz OMNQAUYXVXGXDZ-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1ccc(C[N@H+](C)CCC[NH3+])nc1 227745084 487056655 /nfs/dbraw/zinc/05/66/55/487056655.db2.gz MYDHDGNTEVCLDX-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1ccc(C[N@@H+](C)CCC[NH3+])nc1 227745084 487056658 /nfs/dbraw/zinc/05/66/58/487056658.db2.gz MYDHDGNTEVCLDX-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 228076841 487057334 /nfs/dbraw/zinc/05/73/34/487057334.db2.gz JMLRZNLLJORRML-GARJFASQSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@@H]1C 228486072 487058111 /nfs/dbraw/zinc/05/81/11/487058111.db2.gz NMALXKZFXCQGEV-SDDRHHMPSA-N 2 1 198.354 1.948 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228475149 487058193 /nfs/dbraw/zinc/05/81/93/487058193.db2.gz BNUINHMEBAANPF-QJPTWQEYSA-N 2 1 196.338 1.702 20 0 ADADMP Cc1cncc(C[N@H+](C)CCC[NH3+])c1 228622610 487061146 /nfs/dbraw/zinc/06/11/46/487061146.db2.gz RVIKITVFDMUYCS-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CCCC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228473326 487058638 /nfs/dbraw/zinc/05/86/38/487058638.db2.gz INYSARNFOWHTAW-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@H]21 228538518 487059363 /nfs/dbraw/zinc/05/93/63/487059363.db2.gz WAVQNTHHLQKMAJ-IJLUTSLNSA-N 2 1 194.322 1.456 20 0 ADADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC3CC3)C[C@@H]12 228538529 487059797 /nfs/dbraw/zinc/05/97/97/487059797.db2.gz WAVQNTHHLQKMAJ-QJPTWQEYSA-N 2 1 194.322 1.456 20 0 ADADMP Cc1cncc(C[N@@H+](C)CCC[NH3+])c1 228622610 487061156 /nfs/dbraw/zinc/06/11/56/487061156.db2.gz RVIKITVFDMUYCS-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP [NH3+]CCC[N@@H+](CC1CC1)C1CCC1 228581631 487061210 /nfs/dbraw/zinc/06/12/10/487061210.db2.gz YQUSNAKXUVZQJX-UHFFFAOYSA-N 2 1 182.311 1.600 20 0 ADADMP CC[N@@H+](CCC[NH3+])C1CCC1 228581647 487061271 /nfs/dbraw/zinc/06/12/71/487061271.db2.gz FZWAYBZZFQLDRI-UHFFFAOYSA-N 2 1 156.273 1.210 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 228724222 487061747 /nfs/dbraw/zinc/06/17/47/487061747.db2.gz MKZINSNVGULXOA-DCAQKATOSA-N 2 1 182.311 1.184 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1C[C@@H]1C 228789455 487062312 /nfs/dbraw/zinc/06/23/12/487062312.db2.gz CHOUKOXEOSDZTI-HBNTYKKESA-N 2 1 184.327 1.605 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@@H]1C 228789444 487062415 /nfs/dbraw/zinc/06/24/15/487062415.db2.gz CHOUKOXEOSDZTI-GARJFASQSA-N 2 1 184.327 1.605 20 0 ADADMP C[NH2+][C@H]1CCC[N@H+](CCC2CCC2)C1 229139343 487063786 /nfs/dbraw/zinc/06/37/86/487063786.db2.gz DQNRJWVEVJLCIN-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CCC[N@@H+](CCC2CCC2)C1 229139343 487063792 /nfs/dbraw/zinc/06/37/92/487063792.db2.gz DQNRJWVEVJLCIN-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP N[C@H]1CC[N@@H+](CCC2CCC2)C1 229112827 487063813 /nfs/dbraw/zinc/06/38/13/487063813.db2.gz VKUCGYPZAXPDBY-JTQLQIEISA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CCC2CCC2)C1 229112827 487063817 /nfs/dbraw/zinc/06/38/17/487063817.db2.gz VKUCGYPZAXPDBY-JTQLQIEISA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CCC2CCC2)C1 229112827 487063819 /nfs/dbraw/zinc/06/38/19/487063819.db2.gz VKUCGYPZAXPDBY-JTQLQIEISA-N 2 1 168.284 1.210 20 0 ADADMP N[C@@H]1CC[N@@H+](CCC2CCC2)C1 229112820 487064161 /nfs/dbraw/zinc/06/41/61/487064161.db2.gz VKUCGYPZAXPDBY-SNVBAGLBSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CCC2CCC2)C1 229112820 487064166 /nfs/dbraw/zinc/06/41/66/487064166.db2.gz VKUCGYPZAXPDBY-SNVBAGLBSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCC2)C1 229112820 487064172 /nfs/dbraw/zinc/06/41/72/487064172.db2.gz VKUCGYPZAXPDBY-SNVBAGLBSA-N 2 1 168.284 1.210 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CCC1CCC1)C1CC1 229090661 487064314 /nfs/dbraw/zinc/06/43/14/487064314.db2.gz XVVHQFCQUAZTTA-LBPRGKRZSA-N 2 1 196.338 1.894 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CCC2CCC2)C1 229112774 487064403 /nfs/dbraw/zinc/06/44/03/487064403.db2.gz DGXKEXTUWOJWJB-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CCC2CCC2)C1 229112774 487064410 /nfs/dbraw/zinc/06/44/10/487064410.db2.gz DGXKEXTUWOJWJB-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CCC2CCC2)C1 229112783 487064510 /nfs/dbraw/zinc/06/45/10/487064510.db2.gz DGXKEXTUWOJWJB-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CCC2CCC2)C1 229112783 487064515 /nfs/dbraw/zinc/06/45/15/487064515.db2.gz DGXKEXTUWOJWJB-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[C@](C[NH3+])([NH2+]CCC1CCC1)C1CC1 229090671 487064677 /nfs/dbraw/zinc/06/46/77/487064677.db2.gz XVVHQFCQUAZTTA-GFCCVEGCSA-N 2 1 196.338 1.894 20 0 ADADMP C[NH2+][C@@H]1CCC[N@H+](CCC2CCC2)C1 229139332 487064726 /nfs/dbraw/zinc/06/47/26/487064726.db2.gz DQNRJWVEVJLCIN-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1CCC[N@@H+](CCC2CCC2)C1 229139332 487064731 /nfs/dbraw/zinc/06/47/31/487064731.db2.gz DQNRJWVEVJLCIN-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 230991891 487076132 /nfs/dbraw/zinc/07/61/32/487076132.db2.gz AQKGBCKDMOXHPH-GHMZBOCLSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 230991893 487076516 /nfs/dbraw/zinc/07/65/16/487076516.db2.gz AQKGBCKDMOXHPH-WDEREUQCSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@H]1CCC[C@H]([NH2+]CC[NH3+])C1 230991899 487076645 /nfs/dbraw/zinc/07/66/45/487076645.db2.gz AQKGBCKDMOXHPH-QWRGUYRKSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[NH3+])C1 230991896 487076697 /nfs/dbraw/zinc/07/66/97/487076697.db2.gz AQKGBCKDMOXHPH-MNOVXSKESA-N 2 1 184.327 1.750 20 0 ADADMP C[N@H+](CCN)CCC1CCC1 232159574 487081749 /nfs/dbraw/zinc/08/17/49/487081749.db2.gz HFIYKTPJDUGXNL-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[N@@H+](CCN)CCC1CCC1 232159574 487081756 /nfs/dbraw/zinc/08/17/56/487081756.db2.gz HFIYKTPJDUGXNL-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[N@H+](CC[NH3+])CCC1CCC1 232159574 487081766 /nfs/dbraw/zinc/08/17/66/487081766.db2.gz HFIYKTPJDUGXNL-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[N@@H+](CC[NH3+])CCC1CCC1 232159574 487081769 /nfs/dbraw/zinc/08/17/69/487081769.db2.gz HFIYKTPJDUGXNL-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 683110877 487082302 /nfs/dbraw/zinc/08/23/02/487082302.db2.gz UFQRBXSNAFDKGH-GRYCIOLGSA-N 2 1 196.338 1.526 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 683110878 487082370 /nfs/dbraw/zinc/08/23/70/487082370.db2.gz UFQRBXSNAFDKGH-IJLUTSLNSA-N 2 1 196.338 1.526 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH+](C)C)C1 683110879 487082448 /nfs/dbraw/zinc/08/24/48/487082448.db2.gz UFQRBXSNAFDKGH-UTUOFQBUSA-N 2 1 196.338 1.526 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 683110880 487082942 /nfs/dbraw/zinc/08/29/42/487082942.db2.gz UFQRBXSNAFDKGH-WOPDTQHZSA-N 2 1 196.338 1.526 20 0 ADADMP CC(C)CC[C@@H](C)[NH2+][C@H](C)C[NH3+] 232561898 487083357 /nfs/dbraw/zinc/08/33/57/487083357.db2.gz NCDXRAPGFUQUOA-NXEZZACHSA-N 2 1 172.316 1.748 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 232704258 487084146 /nfs/dbraw/zinc/08/41/46/487084146.db2.gz XVQFGFZDCWIQIH-QWRGUYRKSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@H](C)[NH2+][C@H](C)C[NH3+] 232630846 487084346 /nfs/dbraw/zinc/08/43/46/487084346.db2.gz MXWVBNZQLABGEN-DTWKUNHWSA-N 2 1 158.289 1.358 20 0 ADADMP CC(C)[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 232705031 487084461 /nfs/dbraw/zinc/08/44/61/487084461.db2.gz XVQFGFZDCWIQIH-WDEREUQCSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 232696046 487084590 /nfs/dbraw/zinc/08/45/90/487084590.db2.gz XVQFGFZDCWIQIH-GHMZBOCLSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 232591851 487084718 /nfs/dbraw/zinc/08/47/18/487084718.db2.gz BZAJEDAPKSBBDU-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 232695315 487084798 /nfs/dbraw/zinc/08/47/98/487084798.db2.gz XVQFGFZDCWIQIH-MNOVXSKESA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@@H](C)[NH2+][C@H](C)C[NH3+] 232594518 487084840 /nfs/dbraw/zinc/08/48/40/487084840.db2.gz MXWVBNZQLABGEN-RKDXNWHRSA-N 2 1 158.289 1.358 20 0 ADADMP CC(C)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 232592975 487084853 /nfs/dbraw/zinc/08/48/53/487084853.db2.gz BZAJEDAPKSBBDU-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)CC[C@H](C)[NH2+][C@H](C)C[NH3+] 232577487 487084883 /nfs/dbraw/zinc/08/48/83/487084883.db2.gz NCDXRAPGFUQUOA-VHSXEESVSA-N 2 1 172.316 1.748 20 0 ADADMP CC[NH+](CC)CCC[N@H+]1CC=CCC1 683142054 487085135 /nfs/dbraw/zinc/08/51/35/487085135.db2.gz ZRERAHIUDIZRHX-UHFFFAOYSA-N 2 1 196.338 1.980 20 0 ADADMP CC[NH+](CC)CCC[N@@H+]1CC=CCC1 683142054 487085139 /nfs/dbraw/zinc/08/51/39/487085139.db2.gz ZRERAHIUDIZRHX-UHFFFAOYSA-N 2 1 196.338 1.980 20 0 ADADMP CC1(C[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 232889596 487086502 /nfs/dbraw/zinc/08/65/02/487086502.db2.gz KTNURMSIVNXRQM-JTQLQIEISA-N 2 1 182.311 1.518 20 0 ADADMP CC1(C[NH2+]C[C@H]2CCCC[NH2+]2)CC1 232908226 487086590 /nfs/dbraw/zinc/08/65/90/487086590.db2.gz KTNURMSIVNXRQM-SNVBAGLBSA-N 2 1 182.311 1.518 20 0 ADADMP CCC1CCC([NH2+][C@H](C)C[NH3+])CC1 232900161 487086842 /nfs/dbraw/zinc/08/68/42/487086842.db2.gz FLITXJSHEHGYFS-KPPDAEKUSA-N 2 1 184.327 1.892 20 0 ADADMP CCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1 233002181 487087576 /nfs/dbraw/zinc/08/75/76/487087576.db2.gz WJVUXKLENLGKOU-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP CC1(C[NH2+][C@H]2CCC[NH2+]C2)CC1 233028300 487087688 /nfs/dbraw/zinc/08/76/88/487087688.db2.gz KIFYUGGYMPWSKS-VIFPVBQESA-N 2 1 168.284 1.128 20 0 ADADMP CCC(C)(C)C[NH2+][C@@H]1CC[NH2+]C1 232983484 487087733 /nfs/dbraw/zinc/08/77/33/487087733.db2.gz WJVUXKLENLGKOU-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP CCC(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 232980926 487088116 /nfs/dbraw/zinc/08/81/16/487088116.db2.gz ZXIHMBGACJSKQN-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CCCC[C@H](C)[NH2+][C@H](C)C[NH3+] 233000219 487088267 /nfs/dbraw/zinc/08/82/67/487088267.db2.gz NNFSXIONFWGSCC-DTWKUNHWSA-N 2 1 158.289 1.502 20 0 ADADMP CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 233020846 487088297 /nfs/dbraw/zinc/08/82/97/487088297.db2.gz KIFYUGGYMPWSKS-SECBINFHSA-N 2 1 168.284 1.128 20 0 ADADMP CCC(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 233000294 487088394 /nfs/dbraw/zinc/08/83/94/487088394.db2.gz ZXIHMBGACJSKQN-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 233279471 487089200 /nfs/dbraw/zinc/08/92/00/487089200.db2.gz NHEQGZFHOCCRRJ-PSASIEDQSA-N 2 1 170.300 1.502 20 0 ADADMP CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 233032045 487089261 /nfs/dbraw/zinc/08/92/61/487089261.db2.gz RUCPLUUAKSNLTI-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[NH2+]CC[NH2+]CC1(C)CC1 233090339 487089322 /nfs/dbraw/zinc/08/93/22/487089322.db2.gz LCVCBMYMTZWAQZ-UHFFFAOYSA-N 2 1 170.300 1.376 20 0 ADADMP CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 233278887 487089440 /nfs/dbraw/zinc/08/94/40/487089440.db2.gz NHEQGZFHOCCRRJ-SCZZXKLOSA-N 2 1 170.300 1.502 20 0 ADADMP CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 233281641 487089460 /nfs/dbraw/zinc/08/94/60/487089460.db2.gz QBGSSXNAEWAGGF-MNOVXSKESA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@@H](C)[NH2+][C@H](C)C[NH3+] 233279248 487089504 /nfs/dbraw/zinc/08/95/04/487089504.db2.gz MGOWEQXOBCAWNT-HTQZYQBOSA-N 2 1 144.262 1.112 20 0 ADADMP CCC[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 233033967 487089575 /nfs/dbraw/zinc/08/95/75/487089575.db2.gz RUCPLUUAKSNLTI-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 233277322 487089652 /nfs/dbraw/zinc/08/96/52/487089652.db2.gz QBGSSXNAEWAGGF-GHMZBOCLSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 233337451 487090384 /nfs/dbraw/zinc/09/03/84/487090384.db2.gz QBGSSXNAEWAGGF-WDEREUQCSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 233338180 487090403 /nfs/dbraw/zinc/09/04/03/487090403.db2.gz QBGSSXNAEWAGGF-QWRGUYRKSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@H](C)C[NH3+] 233288289 487090659 /nfs/dbraw/zinc/09/06/59/487090659.db2.gz CGGCFPDSZQAYNX-RKDXNWHRSA-N 2 1 158.289 1.502 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 233481287 487091209 /nfs/dbraw/zinc/09/12/09/487091209.db2.gz IUZZGTOORXROLV-WDEREUQCSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 233338934 487091223 /nfs/dbraw/zinc/09/12/23/487091223.db2.gz NHEQGZFHOCCRRJ-WCBMZHEXSA-N 2 1 170.300 1.502 20 0 ADADMP CCC[C@H](C)[NH2+][C@H](C)C[NH3+] 233338819 487091404 /nfs/dbraw/zinc/09/14/04/487091404.db2.gz MGOWEQXOBCAWNT-JGVFFNPUSA-N 2 1 144.262 1.112 20 0 ADADMP CCC[C@H](CC)[NH2+][C@H](C)C[NH3+] 233347404 487091415 /nfs/dbraw/zinc/09/14/15/487091415.db2.gz CGGCFPDSZQAYNX-BDAKNGLRSA-N 2 1 158.289 1.502 20 0 ADADMP CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 233338732 487091920 /nfs/dbraw/zinc/09/19/20/487091920.db2.gz NHEQGZFHOCCRRJ-WPRPVWTQSA-N 2 1 170.300 1.502 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 233528736 487092305 /nfs/dbraw/zinc/09/23/05/487092305.db2.gz IUZZGTOORXROLV-QWRGUYRKSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])C(C)C 233892537 487092836 /nfs/dbraw/zinc/09/28/36/487092836.db2.gz APKIRYIUHFVDAK-RKDXNWHRSA-N 2 1 158.289 1.358 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683843918 487101892 /nfs/dbraw/zinc/10/18/92/487101892.db2.gz HQFCCZBXWVVZAP-FIQHERPVSA-N 2 1 194.322 1.136 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])C(C)C 234050658 487094354 /nfs/dbraw/zinc/09/43/54/487094354.db2.gz APKIRYIUHFVDAK-BDAKNGLRSA-N 2 1 158.289 1.358 20 0 ADADMP CNCC[NH2+]C[C@@H](C)c1ccccc1 234382089 487095773 /nfs/dbraw/zinc/09/57/73/487095773.db2.gz AYPFUYMCZVIILL-LLVKDONJSA-N 2 1 192.306 1.599 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H](C)c1ccccc1 234382089 487095779 /nfs/dbraw/zinc/09/57/79/487095779.db2.gz AYPFUYMCZVIILL-LLVKDONJSA-N 2 1 192.306 1.599 20 0 ADADMP CNCC[NH2+]C[C@H](C)c1ccccc1 234382374 487095996 /nfs/dbraw/zinc/09/59/96/487095996.db2.gz AYPFUYMCZVIILL-NSHDSACASA-N 2 1 192.306 1.599 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H](C)c1ccccc1 234382374 487095999 /nfs/dbraw/zinc/09/59/99/487095999.db2.gz AYPFUYMCZVIILL-NSHDSACASA-N 2 1 192.306 1.599 20 0 ADADMP CC[C@@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683790900 487097576 /nfs/dbraw/zinc/09/75/76/487097576.db2.gz UBJFWNOXMNLWPB-UTUOFQBUSA-N 2 1 196.338 1.526 20 0 ADADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683790900 487097580 /nfs/dbraw/zinc/09/75/80/487097580.db2.gz UBJFWNOXMNLWPB-UTUOFQBUSA-N 2 1 196.338 1.526 20 0 ADADMP CC[C@@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683790900 487097584 /nfs/dbraw/zinc/09/75/84/487097584.db2.gz UBJFWNOXMNLWPB-UTUOFQBUSA-N 2 1 196.338 1.526 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683790898 487097900 /nfs/dbraw/zinc/09/79/00/487097900.db2.gz UBJFWNOXMNLWPB-SDDRHHMPSA-N 2 1 196.338 1.526 20 0 ADADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683790898 487097902 /nfs/dbraw/zinc/09/79/02/487097902.db2.gz UBJFWNOXMNLWPB-SDDRHHMPSA-N 2 1 196.338 1.526 20 0 ADADMP CC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683790898 487097906 /nfs/dbraw/zinc/09/79/06/487097906.db2.gz UBJFWNOXMNLWPB-SDDRHHMPSA-N 2 1 196.338 1.526 20 0 ADADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2(C)CC2)C1 683830924 487099839 /nfs/dbraw/zinc/09/98/39/487099839.db2.gz ZQMLVGDTZZFXSI-LLVKDONJSA-N 2 1 196.338 1.670 20 0 ADADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 235204313 487100137 /nfs/dbraw/zinc/10/01/37/487100137.db2.gz WNVFNAQXEWRNRW-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(C)CC2)C1 683830925 487100489 /nfs/dbraw/zinc/10/04/89/487100489.db2.gz ZQMLVGDTZZFXSI-NSHDSACASA-N 2 1 196.338 1.670 20 0 ADADMP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[NH2+]1 235070993 487100658 /nfs/dbraw/zinc/10/06/58/487100658.db2.gz DLZMZYUMHQAKCC-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCC1 235204355 487100747 /nfs/dbraw/zinc/10/07/47/487100747.db2.gz VNRCRPISNMMJBE-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[NH2+]1 235071711 487100782 /nfs/dbraw/zinc/10/07/82/487100782.db2.gz DLZMZYUMHQAKCC-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683843921 487100999 /nfs/dbraw/zinc/10/09/99/487100999.db2.gz HQFCCZBXWVVZAP-KXNHARMFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683843921 487101002 /nfs/dbraw/zinc/10/10/02/487101002.db2.gz HQFCCZBXWVVZAP-KXNHARMFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683843921 487101006 /nfs/dbraw/zinc/10/10/06/487101006.db2.gz HQFCCZBXWVVZAP-KXNHARMFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683843920 487101058 /nfs/dbraw/zinc/10/10/58/487101058.db2.gz HQFCCZBXWVVZAP-KKOKHZNYSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683843920 487101062 /nfs/dbraw/zinc/10/10/62/487101062.db2.gz HQFCCZBXWVVZAP-KKOKHZNYSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683843920 487101065 /nfs/dbraw/zinc/10/10/65/487101065.db2.gz HQFCCZBXWVVZAP-KKOKHZNYSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 683843923 487101456 /nfs/dbraw/zinc/10/14/56/487101456.db2.gz HQFCCZBXWVVZAP-WHOHXGKFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683843923 487101461 /nfs/dbraw/zinc/10/14/61/487101461.db2.gz HQFCCZBXWVVZAP-WHOHXGKFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@H]1C[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683843923 487101466 /nfs/dbraw/zinc/10/14/66/487101466.db2.gz HQFCCZBXWVVZAP-WHOHXGKFSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 235292759 487101488 /nfs/dbraw/zinc/10/14/88/487101488.db2.gz AUFJPWRXUJXKSI-OPRDCNLKSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1CCC[C@@H](C[NH2+][C@H](C)C[NH3+])C1 235273615 487101539 /nfs/dbraw/zinc/10/15/39/487101539.db2.gz XWCRLMXDYBDKDM-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCC1 235222909 487101600 /nfs/dbraw/zinc/10/16/00/487101600.db2.gz VNRCRPISNMMJBE-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[N@H+]1C[C@H]2C[NH+](CC3(C)CC3)C[C@H]2C1 683844026 487101663 /nfs/dbraw/zinc/10/16/63/487101663.db2.gz IVSVCGPNWTTXSH-PHIMTYICSA-N 2 1 194.322 1.280 20 0 ADADMP C[NH+]1C[C@H]2C[N@H+](CC3(C)CC3)C[C@H]2C1 683844026 487101666 /nfs/dbraw/zinc/10/16/66/487101666.db2.gz IVSVCGPNWTTXSH-PHIMTYICSA-N 2 1 194.322 1.280 20 0 ADADMP C[NH+]1C[C@H]2C[N@@H+](CC3(C)CC3)C[C@H]2C1 683844026 487101670 /nfs/dbraw/zinc/10/16/70/487101670.db2.gz IVSVCGPNWTTXSH-PHIMTYICSA-N 2 1 194.322 1.280 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@H]1[NH2+][C@H](C)C[NH3+] 235278358 487101842 /nfs/dbraw/zinc/10/18/42/487101842.db2.gz LAYBGZFFPAPBLX-LMLFDSFASA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 683843918 487101896 /nfs/dbraw/zinc/10/18/96/487101896.db2.gz HQFCCZBXWVVZAP-FIQHERPVSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@H]1C[C@H]1C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 683843918 487101900 /nfs/dbraw/zinc/10/19/00/487101900.db2.gz HQFCCZBXWVVZAP-FIQHERPVSA-N 2 1 194.322 1.136 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+][C@H](C)C[NH3+] 235280487 487102028 /nfs/dbraw/zinc/10/20/28/487102028.db2.gz LAYBGZFFPAPBLX-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 235222885 487102038 /nfs/dbraw/zinc/10/20/38/487102038.db2.gz WNVFNAQXEWRNRW-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CCC[C@H](C[NH2+][C@H](C)C[NH3+])C1 235297980 487102221 /nfs/dbraw/zinc/10/22/21/487102221.db2.gz XWCRLMXDYBDKDM-MXWKQRLJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 235274398 487102439 /nfs/dbraw/zinc/10/24/39/487102439.db2.gz AUFJPWRXUJXKSI-BBBLOLIVSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])C1CCC1 235458375 487102898 /nfs/dbraw/zinc/10/28/98/487102898.db2.gz PFOCXWAWEOSQFB-SFYZADRCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])C1CCCCC1 235458395 487103016 /nfs/dbraw/zinc/10/30/16/487103016.db2.gz DQZLQOKUFSBTFL-ZJUUUORDSA-N 2 1 184.327 1.892 20 0 ADADMP Cc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1 235459115 487103038 /nfs/dbraw/zinc/10/30/38/487103038.db2.gz SVILCEGHHBHQCG-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@H](C)C(C)(C)C 235453673 487103144 /nfs/dbraw/zinc/10/31/44/487103144.db2.gz YXIJMJXRSKIKLN-DTWKUNHWSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@@H](CCc1ccco1)[NH2+][C@H](C)C[NH3+] 235458599 487103239 /nfs/dbraw/zinc/10/32/39/487103239.db2.gz OYJUJARDMUJPRC-VHSXEESVSA-N 2 1 196.294 1.538 20 0 ADADMP C[C@H](C[NH2+][C@H](C)C[NH3+])c1ccccc1 235452817 487103369 /nfs/dbraw/zinc/10/33/69/487103369.db2.gz QBFHABJQVRKFMZ-GHMZBOCLSA-N 2 1 192.306 1.727 20 0 ADADMP C[C@H](C[NH2+][C@H](C)C[NH3+])C(C)(C)C 235452711 487103383 /nfs/dbraw/zinc/10/33/83/487103383.db2.gz YXIJMJXRSKIKLN-RKDXNWHRSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@H]1C[C@H](C[N@@H+]2CC[C@@H](C)C2)CC[NH2+]1 235315049 487103427 /nfs/dbraw/zinc/10/34/27/487103427.db2.gz NFQGNIBCWVONMN-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[NH2+]1 235432165 487103449 /nfs/dbraw/zinc/10/34/49/487103449.db2.gz DLZMZYUMHQAKCC-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](Cc1ccsc1)[NH2+][C@H](C)C[NH3+] 235458884 487103520 /nfs/dbraw/zinc/10/35/20/487103520.db2.gz UAPCHGCKPHCAGQ-DTWKUNHWSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[NH2+]1 235431342 487103538 /nfs/dbraw/zinc/10/35/38/487103538.db2.gz DLZMZYUMHQAKCC-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CC2)CC[NH2+]1 235378903 487103562 /nfs/dbraw/zinc/10/35/62/487103562.db2.gz TTYQPRSUQOMXHM-PWSUYJOCSA-N 2 1 196.338 1.716 20 0 ADADMP Cc1cccc(C)c1C[NH2+][C@H](C)C[NH3+] 235454527 487103597 /nfs/dbraw/zinc/10/35/97/487103597.db2.gz ADYZEPSXIBIRLD-LLVKDONJSA-N 2 1 192.306 1.740 20 0 ADADMP C[C@@H](Cc1cccs1)[NH2+][C@H](C)C[NH3+] 235458874 487103609 /nfs/dbraw/zinc/10/36/09/487103609.db2.gz DONVIJZLVIOPRZ-DTWKUNHWSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@H]1CCCC[C@H]1C[NH2+][C@H](C)C[NH3+] 235453153 487103695 /nfs/dbraw/zinc/10/36/95/487103695.db2.gz LWYLTUGZTVZNHM-AXFHLTTASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CC2)CC[NH2+]1 235364635 487103755 /nfs/dbraw/zinc/10/37/55/487103755.db2.gz TTYQPRSUQOMXHM-ZYHUDNBSSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 235458384 487103781 /nfs/dbraw/zinc/10/37/81/487103781.db2.gz XFEFXHTWXYHETA-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@H](C)c1ccccc1 235453763 487103790 /nfs/dbraw/zinc/10/37/90/487103790.db2.gz QBFHABJQVRKFMZ-WDEREUQCSA-N 2 1 192.306 1.727 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C(C1CC1)C1CC1 235448683 487103799 /nfs/dbraw/zinc/10/37/99/487103799.db2.gz GSHBRSNCPXGNLW-SSDOTTSWSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@H]1CCCC[C@@H]1C[NH2+][C@H](C)C[NH3+] 235454038 487103836 /nfs/dbraw/zinc/10/38/36/487103836.db2.gz LWYLTUGZTVZNHM-HBNTYKKESA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](CC1CC1)[NH2+][C@H](C)C[NH3+] 235458511 487103897 /nfs/dbraw/zinc/10/38/97/487103897.db2.gz XNAYLGZCRIAQQF-JGVFFNPUSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC1CC1 235461350 487104238 /nfs/dbraw/zinc/10/42/38/487104238.db2.gz XNAYLGZCRIAQQF-HTQZYQBOSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1CCC1 235461190 487104279 /nfs/dbraw/zinc/10/42/79/487104279.db2.gz PFOCXWAWEOSQFB-HTQZYQBOSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccs1 235462607 487104321 /nfs/dbraw/zinc/10/43/21/487104321.db2.gz WTYCWDRAQDPMOU-HTQZYQBOSA-N 2 1 184.308 1.746 20 0 ADADMP Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH3+] 235459423 487104362 /nfs/dbraw/zinc/10/43/62/487104362.db2.gz QMPXQIHKJNEORW-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(F)cc1 235462203 487104472 /nfs/dbraw/zinc/10/44/72/487104472.db2.gz RYBQRDXDFPMXHJ-RKDXNWHRSA-N 2 1 196.269 1.824 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+][C@H](C)C[NH3+] 235460102 487104492 /nfs/dbraw/zinc/10/44/92/487104492.db2.gz WGCCOLLBKPQBQI-IVZWLZJFSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(F)cc1 235459227 487104508 /nfs/dbraw/zinc/10/45/08/487104508.db2.gz RYBQRDXDFPMXHJ-BDAKNGLRSA-N 2 1 196.269 1.824 20 0 ADADMP C[C@@H]1[C@@H]([NH2+][C@H](C)C[NH3+])CCC[C@H]1C 235463413 487104519 /nfs/dbraw/zinc/10/45/19/487104519.db2.gz CIUSGMAPGBFAGF-ZNSHCXBVSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 235523586 487104819 /nfs/dbraw/zinc/10/48/19/487104819.db2.gz WNVFNAQXEWRNRW-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+][C@H](C)C[NH3+])c1 235462306 487104657 /nfs/dbraw/zinc/10/46/57/487104657.db2.gz AEKJIUBHGDXOQX-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]1C[C@@H]([NH2+][C@H](C)C[NH3+])CC[C@H]1C 235463869 487104669 /nfs/dbraw/zinc/10/46/69/487104669.db2.gz ZKANSHMXNULVES-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])c1cccs1 235459529 487104705 /nfs/dbraw/zinc/10/47/05/487104705.db2.gz WTYCWDRAQDPMOU-SFYZADRCSA-N 2 1 184.308 1.746 20 0 ADADMP C[C@H]1C[C@H]([NH2+][C@H](C)C[NH3+])CC[C@H]1C 235460675 487104720 /nfs/dbraw/zinc/10/47/20/487104720.db2.gz ZKANSHMXNULVES-LMLFDSFASA-N 2 1 184.327 1.748 20 0 ADADMP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] 235462485 487104732 /nfs/dbraw/zinc/10/47/32/487104732.db2.gz QMPXQIHKJNEORW-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CCC1 235509928 487104742 /nfs/dbraw/zinc/10/47/42/487104742.db2.gz VNRCRPISNMMJBE-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1CCCCC1 235461224 487104755 /nfs/dbraw/zinc/10/47/55/487104755.db2.gz DQZLQOKUFSBTFL-NXEZZACHSA-N 2 1 184.327 1.892 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1 235462037 487104792 /nfs/dbraw/zinc/10/47/92/487104792.db2.gz SVILCEGHHBHQCG-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CCC1 235523599 487104857 /nfs/dbraw/zinc/10/48/57/487104857.db2.gz VNRCRPISNMMJBE-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 235509914 487104867 /nfs/dbraw/zinc/10/48/67/487104867.db2.gz WNVFNAQXEWRNRW-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1cccs1 235461744 487104876 /nfs/dbraw/zinc/10/48/76/487104876.db2.gz DONVIJZLVIOPRZ-RKDXNWHRSA-N 2 1 198.335 1.616 20 0 ADADMP Cc1cccc([C@H](C)[NH2+][C@H](C)C[NH3+])c1 235459304 487104945 /nfs/dbraw/zinc/10/49/45/487104945.db2.gz AEKJIUBHGDXOQX-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]1[C@H](C)CCC[C@H]1[NH2+][C@H](C)C[NH3+] 235460249 487104988 /nfs/dbraw/zinc/10/49/88/487104988.db2.gz CIUSGMAPGBFAGF-CHWFTXMASA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCc1ccco1 235461452 487104903 /nfs/dbraw/zinc/10/49/03/487104903.db2.gz OYJUJARDMUJPRC-NXEZZACHSA-N 2 1 196.294 1.538 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[NH3+] 235463261 487105085 /nfs/dbraw/zinc/10/50/85/487105085.db2.gz WGCCOLLBKPQBQI-AEJSXWLSSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)Cc1ccsc1 235461760 487105147 /nfs/dbraw/zinc/10/51/47/487105147.db2.gz UAPCHGCKPHCAGQ-RKDXNWHRSA-N 2 1 198.335 1.616 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1CCCC1 235461203 487105168 /nfs/dbraw/zinc/10/51/68/487105168.db2.gz XFEFXHTWXYHETA-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CC2)CC[NH2+]1 235697236 487106904 /nfs/dbraw/zinc/10/69/04/487106904.db2.gz TTYQPRSUQOMXHM-JQWIXIFHSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CC2)CC[NH2+]1 235723517 487107440 /nfs/dbraw/zinc/10/74/40/487107440.db2.gz TTYQPRSUQOMXHM-CMPLNLGQSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)=CCC[N@H+]1CC[C@H](C[NH3+])C1 238145846 487108226 /nfs/dbraw/zinc/10/82/26/487108226.db2.gz IGHZPDFZBYJKPU-LLVKDONJSA-N 2 1 182.311 1.623 20 0 ADADMP CC(C)=CCC[N@H+]1CC[C@@H](C[NH3+])C1 238145759 487108469 /nfs/dbraw/zinc/10/84/69/487108469.db2.gz IGHZPDFZBYJKPU-NSHDSACASA-N 2 1 182.311 1.623 20 0 ADADMP CC(C)=CCC[N@@H+]1CCC[C@@H]1C[NH3+] 238145547 487108725 /nfs/dbraw/zinc/10/87/25/487108725.db2.gz BHUJTKHVUYVEKY-LLVKDONJSA-N 2 1 182.311 1.766 20 0 ADADMP CC(C)=CCC[N@H+]1CCC[C@@H]1C[NH3+] 238145547 487108729 /nfs/dbraw/zinc/10/87/29/487108729.db2.gz BHUJTKHVUYVEKY-LLVKDONJSA-N 2 1 182.311 1.766 20 0 ADADMP CCc1[nH+]ccn1CC[C@H]1CC[NH2+]C1 238285671 487109503 /nfs/dbraw/zinc/10/95/03/487109503.db2.gz GJTCKXZKJTWZIM-SNVBAGLBSA-N 2 1 193.294 1.445 20 0 ADADMP CCc1[nH+]ccn1CC[C@@H]1CC[NH2+]C1 238285626 487109558 /nfs/dbraw/zinc/10/95/58/487109558.db2.gz GJTCKXZKJTWZIM-JTQLQIEISA-N 2 1 193.294 1.445 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CC=CC2)C1 238569852 487109740 /nfs/dbraw/zinc/10/97/40/487109740.db2.gz IREJYQOCNORYFJ-NSHDSACASA-N 2 1 180.295 1.233 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1CCCC1 238554023 487109974 /nfs/dbraw/zinc/10/99/74/487109974.db2.gz KEHXDQUJCHDWDU-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1CCCC1 238554023 487109978 /nfs/dbraw/zinc/10/99/78/487109978.db2.gz KEHXDQUJCHDWDU-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CC2CC=CC2)C1 238569398 487109997 /nfs/dbraw/zinc/10/99/97/487109997.db2.gz IREJYQOCNORYFJ-LLVKDONJSA-N 2 1 180.295 1.233 20 0 ADADMP CCCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 249901580 487112520 /nfs/dbraw/zinc/11/25/20/487112520.db2.gz WMSSBWBIMSIQSL-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 249912212 487112535 /nfs/dbraw/zinc/11/25/35/487112535.db2.gz YZGVPLUWPCLUHP-MNOVXSKESA-N 2 1 184.327 1.988 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 249912208 487112649 /nfs/dbraw/zinc/11/26/49/487112649.db2.gz YZGVPLUWPCLUHP-GHMZBOCLSA-N 2 1 184.327 1.988 20 0 ADADMP CCCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 249901578 487112676 /nfs/dbraw/zinc/11/26/76/487112676.db2.gz WMSSBWBIMSIQSL-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP C[C@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)C(C)(C)C 251026903 487114170 /nfs/dbraw/zinc/11/41/70/487114170.db2.gz GMTZSDFPTPBOQC-QWRGUYRKSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)C(C)(C)C 251026902 487114375 /nfs/dbraw/zinc/11/43/75/487114375.db2.gz GMTZSDFPTPBOQC-MNOVXSKESA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251300403 487116953 /nfs/dbraw/zinc/11/69/53/487116953.db2.gz HXITZCFLOQHYOR-MNOVXSKESA-N 2 1 184.327 1.572 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 251295051 487116963 /nfs/dbraw/zinc/11/69/63/487116963.db2.gz GYRKUOOBKNXOLD-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251358455 487116994 /nfs/dbraw/zinc/11/69/94/487116994.db2.gz UWHBXBAYBHMBQZ-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CCC[C@@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251301679 487117112 /nfs/dbraw/zinc/11/71/12/487117112.db2.gz JCHINENIWKTVFE-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251358452 487117131 /nfs/dbraw/zinc/11/71/31/487117131.db2.gz UWHBXBAYBHMBQZ-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CCC[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251301681 487117292 /nfs/dbraw/zinc/11/72/92/487117292.db2.gz JCHINENIWKTVFE-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 251295052 487117568 /nfs/dbraw/zinc/11/75/68/487117568.db2.gz GYRKUOOBKNXOLD-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)C[C@H]1CC[NH2+]C1 251300407 487117601 /nfs/dbraw/zinc/11/76/01/487117601.db2.gz HXITZCFLOQHYOR-QWRGUYRKSA-N 2 1 184.327 1.572 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251578301 487117930 /nfs/dbraw/zinc/11/79/30/487117930.db2.gz CEZFHFKENYLWQB-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251578293 487118009 /nfs/dbraw/zinc/11/80/09/487118009.db2.gz CEZFHFKENYLWQB-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@@H]1CC[C@H](C)[N@H+]1C[C@H]1CC[NH2+]C1 251569748 487118314 /nfs/dbraw/zinc/11/83/14/487118314.db2.gz IYAOEKAWTPHFHV-SDDRHHMPSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CC[C@@H](C)[N@H+]1C[C@H]1CC[NH2+]C1 251569741 487118575 /nfs/dbraw/zinc/11/85/75/487118575.db2.gz IYAOEKAWTPHFHV-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 251711903 487119388 /nfs/dbraw/zinc/11/93/88/487119388.db2.gz DITVQKIPGZQMPM-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H](C1CC1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251631006 487119404 /nfs/dbraw/zinc/11/94/04/487119404.db2.gz REDAFIKCWZJBGC-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC[C@H]1CC[NH2+]C1 251711901 487119514 /nfs/dbraw/zinc/11/95/14/487119514.db2.gz DITVQKIPGZQMPM-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@H](C1CC1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251631002 487119521 /nfs/dbraw/zinc/11/95/21/487119521.db2.gz REDAFIKCWZJBGC-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@H](C)C1 251619102 487119611 /nfs/dbraw/zinc/11/96/11/487119611.db2.gz CKSPUKSXQGKTNG-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251739195 487119622 /nfs/dbraw/zinc/11/96/22/487119622.db2.gz KUJTWUCWKHGGHR-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251739190 487119650 /nfs/dbraw/zinc/11/96/50/487119650.db2.gz KUJTWUCWKHGGHR-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H](C)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 251749319 487120107 /nfs/dbraw/zinc/12/01/07/487120107.db2.gz GUYBVRARIGYMTK-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H]1C[N@@H+](CC2CCC2)CC[C@H]1[NH3+] 251812871 487120162 /nfs/dbraw/zinc/12/01/62/487120162.db2.gz OSTYIDDEJUWLPX-NWDGAFQWSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251764292 487120334 /nfs/dbraw/zinc/12/03/34/487120334.db2.gz HVYCVWBFIAYVFK-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251750236 487120495 /nfs/dbraw/zinc/12/04/95/487120495.db2.gz GVXRJRMTWIRHML-HBNTYKKESA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 251798451 487120538 /nfs/dbraw/zinc/12/05/38/487120538.db2.gz NYEBSETWBFOKLU-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 251750234 487120592 /nfs/dbraw/zinc/12/05/92/487120592.db2.gz GVXRJRMTWIRHML-DCAQKATOSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@@H](C)C[N@@H+](CC)C[C@H]1CC[NH2+]C1 251749317 487120673 /nfs/dbraw/zinc/12/06/73/487120673.db2.gz GUYBVRARIGYMTK-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2CCC2)CC[C@H]1[NH3+] 251812875 487120690 /nfs/dbraw/zinc/12/06/90/487120690.db2.gz OSTYIDDEJUWLPX-VXGBXAGGSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 251798456 487120827 /nfs/dbraw/zinc/12/08/27/487120827.db2.gz NYEBSETWBFOKLU-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 251764295 487121180 /nfs/dbraw/zinc/12/11/80/487121180.db2.gz HVYCVWBFIAYVFK-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 252022412 487121509 /nfs/dbraw/zinc/12/15/09/487121509.db2.gz XQHCZPXDEBGAIH-AXFHLTTASA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1C 252112275 487121567 /nfs/dbraw/zinc/12/15/67/487121567.db2.gz JSJVBEQUBFFFAB-MXWKQRLJSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1C 252112275 487121571 /nfs/dbraw/zinc/12/15/71/487121571.db2.gz JSJVBEQUBFFFAB-MXWKQRLJSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1C 252112276 487121684 /nfs/dbraw/zinc/12/16/84/487121684.db2.gz JSJVBEQUBFFFAB-VWYCJHECSA-N 2 1 196.338 1.857 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 251935575 487121666 /nfs/dbraw/zinc/12/16/66/487121666.db2.gz RWKOBOBUPWHJHT-MNOVXSKESA-N 2 1 184.327 1.574 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1C 252112276 487121688 /nfs/dbraw/zinc/12/16/88/487121688.db2.gz JSJVBEQUBFFFAB-VWYCJHECSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 252116338 487121600 /nfs/dbraw/zinc/12/16/00/487121600.db2.gz IPICRSWYINIDAS-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CC[NH2+]C1 251935577 487121700 /nfs/dbraw/zinc/12/17/00/487121700.db2.gz RWKOBOBUPWHJHT-QWRGUYRKSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 252016158 487121954 /nfs/dbraw/zinc/12/19/54/487121954.db2.gz WQCUXBAEYCFJEY-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 252116339 487122073 /nfs/dbraw/zinc/12/20/73/487122073.db2.gz IPICRSWYINIDAS-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CC[C@H]1CC[NH2+]C1 252016157 487122190 /nfs/dbraw/zinc/12/21/90/487122190.db2.gz WQCUXBAEYCFJEY-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 252022413 487122248 /nfs/dbraw/zinc/12/22/48/487122248.db2.gz XQHCZPXDEBGAIH-DCAQKATOSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@H](C)[N@@H+](CC)C[C@H]1CC[NH2+]C1 251961449 487122373 /nfs/dbraw/zinc/12/23/73/487122373.db2.gz VRXLDAVSZIJAPU-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+](CC)C[C@H]1CC[NH2+]C1 251961447 487122394 /nfs/dbraw/zinc/12/23/94/487122394.db2.gz VRXLDAVSZIJAPU-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@H]1C 252142942 487122785 /nfs/dbraw/zinc/12/27/85/487122785.db2.gz NMALXKZFXCQGEV-IJLUTSLNSA-N 2 1 198.354 1.948 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+](C[C@H]2CC[NH2+]C2)C1 252137733 487123228 /nfs/dbraw/zinc/12/32/28/487123228.db2.gz MTKSLSCXNJQVDC-TUAOUCFPSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1C[C@H]1C 252142941 487123345 /nfs/dbraw/zinc/12/33/45/487123345.db2.gz NMALXKZFXCQGEV-GRYCIOLGSA-N 2 1 198.354 1.948 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1C[C@@H]1C 252142944 487123411 /nfs/dbraw/zinc/12/34/11/487123411.db2.gz NMALXKZFXCQGEV-QJPTWQEYSA-N 2 1 198.354 1.948 20 0 ADADMP C[C@H]1[C@H](C)CCC[C@H]1[NH2+]CC[NH3+] 252177036 487123426 /nfs/dbraw/zinc/12/34/26/487123426.db2.gz PEMHJYKYFXFDKF-KXUCPTDWSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1[C@@H]([NH2+]CC[NH3+])CCC[C@H]1C 252177037 487123433 /nfs/dbraw/zinc/12/34/33/487123433.db2.gz PEMHJYKYFXFDKF-UTLUCORTSA-N 2 1 170.300 1.359 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 252435778 487124161 /nfs/dbraw/zinc/12/41/61/487124161.db2.gz LGSKNOJYBMXWGY-NEPJUHHUSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]1[C@H](C)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 252215019 487124364 /nfs/dbraw/zinc/12/43/64/487124364.db2.gz XKCHDFAJTVDMOO-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1[C@H](C)CCC[N@H+]1C[C@H]1CC[NH2+]C1 252215021 487124383 /nfs/dbraw/zinc/12/43/83/487124383.db2.gz XKCHDFAJTVDMOO-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 252215020 487124401 /nfs/dbraw/zinc/12/44/01/487124401.db2.gz XKCHDFAJTVDMOO-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 252435779 487124413 /nfs/dbraw/zinc/12/44/13/487124413.db2.gz LGSKNOJYBMXWGY-RYUDHWBXSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C1 252686685 487125363 /nfs/dbraw/zinc/12/53/63/487125363.db2.gz KDQZVHIZUWXLBD-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CCC[NH2+]C1 252686686 487125432 /nfs/dbraw/zinc/12/54/32/487125432.db2.gz KDQZVHIZUWXLBD-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CCCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252697624 487126157 /nfs/dbraw/zinc/12/61/57/487126157.db2.gz ILPFTGVKDDKZSK-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252697800 487126215 /nfs/dbraw/zinc/12/62/15/487126215.db2.gz JMLRZNLLJORRML-HBNTYKKESA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252697799 487126501 /nfs/dbraw/zinc/12/65/01/487126501.db2.gz JMLRZNLLJORRML-AXFHLTTASA-N 2 1 184.327 1.702 20 0 ADADMP CCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252699862 487126544 /nfs/dbraw/zinc/12/65/44/487126544.db2.gz WPPAXPRIJAQYBB-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CCCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252697625 487126564 /nfs/dbraw/zinc/12/65/64/487126564.db2.gz ILPFTGVKDDKZSK-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 252959745 487129475 /nfs/dbraw/zinc/12/94/75/487129475.db2.gz MKZINSNVGULXOA-VWYCJHECSA-N 2 1 182.311 1.184 20 0 ADADMP CCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252699863 487126792 /nfs/dbraw/zinc/12/67/92/487126792.db2.gz WPPAXPRIJAQYBB-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300055148 487141655 /nfs/dbraw/zinc/14/16/55/487141655.db2.gz BZAJEDAPKSBBDU-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 300055616 487141974 /nfs/dbraw/zinc/14/19/74/487141974.db2.gz IUZZGTOORXROLV-MNOVXSKESA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252787984 487127363 /nfs/dbraw/zinc/12/73/63/487127363.db2.gz WTAVMJUNXKIIGJ-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252790756 487127478 /nfs/dbraw/zinc/12/74/78/487127478.db2.gz ZDBGXMGRAKYOLN-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252784168 487127519 /nfs/dbraw/zinc/12/75/19/487127519.db2.gz TZRQFAZYMYPQEG-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252784167 487127642 /nfs/dbraw/zinc/12/76/42/487127642.db2.gz TZRQFAZYMYPQEG-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252787985 487127776 /nfs/dbraw/zinc/12/77/76/487127776.db2.gz WTAVMJUNXKIIGJ-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP CCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252790755 487127799 /nfs/dbraw/zinc/12/77/99/487127799.db2.gz ZDBGXMGRAKYOLN-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 252789418 487127825 /nfs/dbraw/zinc/12/78/25/487127825.db2.gz XVSXDGYOQUOTRW-GARJFASQSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252789416 487127872 /nfs/dbraw/zinc/12/78/72/487127872.db2.gz XVSXDGYOQUOTRW-DCAQKATOSA-N 2 1 184.327 1.702 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252852370 487128257 /nfs/dbraw/zinc/12/82/57/487128257.db2.gz INYSARNFOWHTAW-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252840251 487128380 /nfs/dbraw/zinc/12/83/80/487128380.db2.gz BNUINHMEBAANPF-SRVKXCTJSA-N 2 1 196.338 1.702 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252852367 487128604 /nfs/dbraw/zinc/12/86/04/487128604.db2.gz INYSARNFOWHTAW-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252840250 487128672 /nfs/dbraw/zinc/12/86/72/487128672.db2.gz BNUINHMEBAANPF-SDDRHHMPSA-N 2 1 196.338 1.702 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 252959743 487129216 /nfs/dbraw/zinc/12/92/16/487129216.db2.gz MKZINSNVGULXOA-OUAUKWLOSA-N 2 1 182.311 1.184 20 0 ADADMP C[C@H]1C[N@@H+](CCC2CCC2)CC[C@H]1[NH3+] 252930271 487129262 /nfs/dbraw/zinc/12/92/62/487129262.db2.gz AIXDMBBANZEDPP-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252949717 487129317 /nfs/dbraw/zinc/12/93/17/487129317.db2.gz CHOUKOXEOSDZTI-OUAUKWLOSA-N 2 1 184.327 1.605 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C 252949128 487129368 /nfs/dbraw/zinc/12/93/68/487129368.db2.gz BOMHKXAIVHAVEC-OPRDCNLKSA-N 2 1 184.327 1.605 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252949714 487129384 /nfs/dbraw/zinc/12/93/84/487129384.db2.gz CHOUKOXEOSDZTI-GMTAPVOTSA-N 2 1 184.327 1.605 20 0 ADADMP C[C@@H]1C[N@@H+](CCC2CCC2)CC[C@H]1[NH3+] 252930272 487129434 /nfs/dbraw/zinc/12/94/34/487129434.db2.gz AIXDMBBANZEDPP-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C[C@@H]1C[C@H]1C 252953251 487129451 /nfs/dbraw/zinc/12/94/51/487129451.db2.gz GLJOLXFYLLLCLK-OUAUKWLOSA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C[C@H]1C[C@H]1C 252953249 487129496 /nfs/dbraw/zinc/12/94/96/487129496.db2.gz GLJOLXFYLLLCLK-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C 252949126 487129508 /nfs/dbraw/zinc/12/95/08/487129508.db2.gz BOMHKXAIVHAVEC-KXUCPTDWSA-N 2 1 184.327 1.605 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2C)C1 252959741 487129592 /nfs/dbraw/zinc/12/95/92/487129592.db2.gz MKZINSNVGULXOA-GARJFASQSA-N 2 1 182.311 1.184 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CCCC[NH2+]1 252969554 487130020 /nfs/dbraw/zinc/13/00/20/487130020.db2.gz WDJIAVGDVCMIHG-GMTAPVOTSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CC[C@H]2CC[NH2+]C2)C1 253058832 487130119 /nfs/dbraw/zinc/13/01/19/487130119.db2.gz BUWUESNELNLYMV-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@H](C[NH3+])C1CCCC1 252970592 487130378 /nfs/dbraw/zinc/13/03/78/487130378.db2.gz XDNYKZFFHQQVBQ-YUSALJHKSA-N 2 1 196.338 1.750 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C1CCCC1 252970591 487130388 /nfs/dbraw/zinc/13/03/88/487130388.db2.gz XDNYKZFFHQQVBQ-ADEWGFFLSA-N 2 1 196.338 1.750 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@H]1CC[NH2+]C1 253058831 487130620 /nfs/dbraw/zinc/13/06/20/487130620.db2.gz BUWUESNELNLYMV-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CCCC[NH2+]1 252969555 487130630 /nfs/dbraw/zinc/13/06/30/487130630.db2.gz WDJIAVGDVCMIHG-OUAUKWLOSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1CC[N@@H+](CCCF)C[C@H]1C[NH3+] 253201278 487132363 /nfs/dbraw/zinc/13/23/63/487132363.db2.gz XUOMWGPGFKTCJH-NXEZZACHSA-N 2 1 188.290 1.263 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253229577 487132381 /nfs/dbraw/zinc/13/23/81/487132381.db2.gz LJDQWZMIEKBGJN-QJPTWQEYSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253206523 487132414 /nfs/dbraw/zinc/13/24/14/487132414.db2.gz GJPJKWXGVBRHKL-VXGBXAGGSA-N 2 1 198.354 1.949 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 253229578 487132653 /nfs/dbraw/zinc/13/26/53/487132653.db2.gz LJDQWZMIEKBGJN-SRVKXCTJSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253206522 487132698 /nfs/dbraw/zinc/13/26/98/487132698.db2.gz GJPJKWXGVBRHKL-NWDGAFQWSA-N 2 1 198.354 1.949 20 0 ADADMP C[C@H]1CC[N@@H+](CCCF)C[C@H]1C[NH3+] 253201279 487132831 /nfs/dbraw/zinc/13/28/31/487132831.db2.gz XUOMWGPGFKTCJH-VHSXEESVSA-N 2 1 188.290 1.263 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 253285868 487132854 /nfs/dbraw/zinc/13/28/54/487132854.db2.gz OCKKSRAIWGTPFE-FBIMIBRVSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 253285867 487132879 /nfs/dbraw/zinc/13/28/79/487132879.db2.gz OCKKSRAIWGTPFE-DVVUODLYSA-N 2 1 182.311 1.502 20 0 ADADMP C[N@@H+](CCC[NH3+])CCC1CCCC1 258774143 487135968 /nfs/dbraw/zinc/13/59/68/487135968.db2.gz OLGLQNKYDUHWDS-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP C[N@@H+](CCC1CCC1)CC(C)(C)[NH3+] 258876725 487135991 /nfs/dbraw/zinc/13/59/91/487135991.db2.gz PTUOVJPHAWZMEU-UHFFFAOYSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1cccc(F)c1 258902033 487136861 /nfs/dbraw/zinc/13/68/61/487136861.db2.gz RXVZWWJXUQBYCQ-UHFFFAOYSA-N 2 1 196.269 1.653 20 0 ADADMP C[N@@H+](CCC(C)(C)C)C[C@@H]1CC[NH2+]C1 258954412 487137090 /nfs/dbraw/zinc/13/70/90/487137090.db2.gz RQQKBBXJOBPXQU-LLVKDONJSA-N 2 1 198.354 1.964 20 0 ADADMP Cc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 258972071 487137336 /nfs/dbraw/zinc/13/73/36/487137336.db2.gz YVYIGHJONMAKHF-UHFFFAOYSA-N 2 1 192.306 1.822 20 0 ADADMP C[N@@H+](CCC(C)(C)C)C[C@H]1CC[NH2+]C1 258954413 487137327 /nfs/dbraw/zinc/13/73/27/487137327.db2.gz RQQKBBXJOBPXQU-NSHDSACASA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 259249811 487137941 /nfs/dbraw/zinc/13/79/41/487137941.db2.gz WLSPBEQBXQDOGN-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 259249814 487138168 /nfs/dbraw/zinc/13/81/68/487138168.db2.gz WLSPBEQBXQDOGN-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](CCC1CCC1)C1CC[NH2+]CC1 259218090 487138270 /nfs/dbraw/zinc/13/82/70/487138270.db2.gz XMDRONGCHBOOFJ-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+] 300022773 487139931 /nfs/dbraw/zinc/13/99/31/487139931.db2.gz AWQHKKKGSUCVHD-YIZRAAEISA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893623 487140322 /nfs/dbraw/zinc/14/03/22/487140322.db2.gz NAQPOKPAZIYYEI-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893623 487140325 /nfs/dbraw/zinc/14/03/25/487140325.db2.gz NAQPOKPAZIYYEI-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C[NH3+] 300023030 487140385 /nfs/dbraw/zinc/14/03/85/487140385.db2.gz CRPNXXCAQASFGR-GMTAPVOTSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 300022998 487140497 /nfs/dbraw/zinc/14/04/97/487140497.db2.gz CIUSGMAPGBFAGF-GWOFURMSSA-N 2 1 184.327 1.748 20 0 ADADMP CCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893692 487140556 /nfs/dbraw/zinc/14/05/56/487140556.db2.gz NXOJGLMGOBBEPP-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299893692 487140561 /nfs/dbraw/zinc/14/05/61/487140561.db2.gz NXOJGLMGOBBEPP-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 300022772 487140840 /nfs/dbraw/zinc/14/08/40/487140840.db2.gz AWQHKKKGSUCVHD-DJLDLDEBSA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 300024456 487141328 /nfs/dbraw/zinc/14/13/28/487141328.db2.gz MYQMAOIWEKPQHD-MXWKQRLJSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H]2C)CC[NH2+]1 300056204 487141356 /nfs/dbraw/zinc/14/13/56/487141356.db2.gz NXCBWIALOLHVRW-UTUOFQBUSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 300056163 487141403 /nfs/dbraw/zinc/14/14/03/487141403.db2.gz NFQGNIBCWVONMN-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300055147 487141431 /nfs/dbraw/zinc/14/14/31/487141431.db2.gz BZAJEDAPKSBBDU-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C 300026063 487141490 /nfs/dbraw/zinc/14/14/90/487141490.db2.gz WGCCOLLBKPQBQI-BBBLOLIVSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])[C@H](C)C1 300024133 487141600 /nfs/dbraw/zinc/14/16/00/487141600.db2.gz LAYBGZFFPAPBLX-DBIOUOCHSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@H]1CCCC[C@H]1C 300024386 487141622 /nfs/dbraw/zinc/14/16/22/487141622.db2.gz LWYLTUGZTVZNHM-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]2C)CC[NH2+]1 300056203 487141703 /nfs/dbraw/zinc/14/17/03/487141703.db2.gz NXCBWIALOLHVRW-IJLUTSLNSA-N 2 1 196.338 1.859 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@H](C)C[NH3+] 300024679 487141770 /nfs/dbraw/zinc/14/17/70/487141770.db2.gz NNFSXIONFWGSCC-RKDXNWHRSA-N 2 1 158.289 1.502 20 0 ADADMP C[C@@H]1CC[N@H+](CCCF)[C@H](C[NH3+])C1 300036113 487141836 /nfs/dbraw/zinc/14/18/36/487141836.db2.gz AHQSVLFTCCYVAY-ZJUUUORDSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C[C@@H]1CCCC[C@H]1C 300024387 487141864 /nfs/dbraw/zinc/14/18/64/487141864.db2.gz LWYLTUGZTVZNHM-MXWKQRLJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CC[N@@H+](CCCF)[C@H](C[NH3+])C1 300036113 487141840 /nfs/dbraw/zinc/14/18/40/487141840.db2.gz AHQSVLFTCCYVAY-ZJUUUORDSA-N 2 1 188.290 1.405 20 0 ADADMP CCC[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300056632 487141848 /nfs/dbraw/zinc/14/18/48/487141848.db2.gz RUCPLUUAKSNLTI-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[NH3+] 300023031 487141879 /nfs/dbraw/zinc/14/18/79/487141879.db2.gz CRPNXXCAQASFGR-MXWKQRLJSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C 300026064 487141984 /nfs/dbraw/zinc/14/19/84/487141984.db2.gz WGCCOLLBKPQBQI-OPRDCNLKSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 300026556 487141993 /nfs/dbraw/zinc/14/19/93/487141993.db2.gz ZKANSHMXNULVES-GWOFURMSSA-N 2 1 184.327 1.748 20 0 ADADMP CCC[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300056634 487142008 /nfs/dbraw/zinc/14/20/08/487142008.db2.gz RUCPLUUAKSNLTI-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 300056162 487142150 /nfs/dbraw/zinc/14/21/50/487142150.db2.gz NFQGNIBCWVONMN-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 300055615 487142382 /nfs/dbraw/zinc/14/23/82/487142382.db2.gz IUZZGTOORXROLV-GHMZBOCLSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 300024455 487142394 /nfs/dbraw/zinc/14/23/94/487142394.db2.gz MYQMAOIWEKPQHD-GMTAPVOTSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C)C2)CC[NH2+]1 300056164 487142406 /nfs/dbraw/zinc/14/24/06/487142406.db2.gz NFQGNIBCWVONMN-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 300056205 487142442 /nfs/dbraw/zinc/14/24/42/487142442.db2.gz NXCBWIALOLHVRW-WOPDTQHZSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 300056202 487142487 /nfs/dbraw/zinc/14/24/87/487142487.db2.gz NXCBWIALOLHVRW-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@H]1C 685459966 487145590 /nfs/dbraw/zinc/14/55/90/487145590.db2.gz ONINOHBFWDVXIB-VXGBXAGGSA-N 2 1 198.354 1.916 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@@H]1C 685459965 487145698 /nfs/dbraw/zinc/14/56/98/487145698.db2.gz ONINOHBFWDVXIB-RYUDHWBXSA-N 2 1 198.354 1.916 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)C[C@H]1C[C@@H]1C 685459964 487145952 /nfs/dbraw/zinc/14/59/52/487145952.db2.gz ONINOHBFWDVXIB-NWDGAFQWSA-N 2 1 198.354 1.916 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)C[C@@H]1C[C@H]1C 685459963 487145975 /nfs/dbraw/zinc/14/59/75/487145975.db2.gz ONINOHBFWDVXIB-NEPJUHHUSA-N 2 1 198.354 1.916 20 0 ADADMP C[C@H]1CSCC[N@@H+](CCC[NH3+])C1 306828748 487167100 /nfs/dbraw/zinc/16/71/00/487167100.db2.gz IXQMHRKCPIUQCU-SECBINFHSA-N 2 1 188.340 1.020 20 0 ADADMP C[C@@H]1CSCC[N@@H+](CCC[NH3+])C1 306828749 487167319 /nfs/dbraw/zinc/16/73/19/487167319.db2.gz IXQMHRKCPIUQCU-VIFPVBQESA-N 2 1 188.340 1.020 20 0 ADADMP [NH3+][C@@H](C[NH2+]Cc1ccccc1)C1CC1 306864228 487168474 /nfs/dbraw/zinc/16/84/74/487168474.db2.gz JYRYETKMZOCHBP-LBPRGKRZSA-N 2 1 190.290 1.514 20 0 ADADMP [NH3+][C@H](C[NH2+]Cc1ccccc1)C1CC1 306864227 487168571 /nfs/dbraw/zinc/16/85/71/487168571.db2.gz JYRYETKMZOCHBP-GFCCVEGCSA-N 2 1 190.290 1.514 20 0 ADADMP C1CC(CC[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 306899459 487169121 /nfs/dbraw/zinc/16/91/21/487169121.db2.gz DMKNHEQWPOFEQG-TXEJJXNPSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC1 307017457 487171888 /nfs/dbraw/zinc/17/18/88/487171888.db2.gz SIXOLIZKPBXBCE-NXEZZACHSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(C)CC1 307017459 487171999 /nfs/dbraw/zinc/17/19/99/487171999.db2.gz SIXOLIZKPBXBCE-VHSXEESVSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC1 307017460 487172091 /nfs/dbraw/zinc/17/20/91/487172091.db2.gz SIXOLIZKPBXBCE-ZJUUUORDSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CC1 307017458 487172390 /nfs/dbraw/zinc/17/23/90/487172390.db2.gz SIXOLIZKPBXBCE-UWVGGRQHSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C 307081082 487173297 /nfs/dbraw/zinc/17/32/97/487173297.db2.gz GVMWJPXKLFSZML-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)C 307081080 487173324 /nfs/dbraw/zinc/17/33/24/487173324.db2.gz GVMWJPXKLFSZML-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C 307081079 487173416 /nfs/dbraw/zinc/17/34/16/487173416.db2.gz GVMWJPXKLFSZML-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 307085994 487173513 /nfs/dbraw/zinc/17/35/13/487173513.db2.gz JXJROTIREHUYEU-NOOOWODRSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 307085995 487173534 /nfs/dbraw/zinc/17/35/34/487173534.db2.gz JXJROTIREHUYEU-RHYQMDGZSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 307085996 487173583 /nfs/dbraw/zinc/17/35/83/487173583.db2.gz JXJROTIREHUYEU-WISYIIOYSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)C 307081081 487173699 /nfs/dbraw/zinc/17/36/99/487173699.db2.gz GVMWJPXKLFSZML-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 307085997 487173712 /nfs/dbraw/zinc/17/37/12/487173712.db2.gz JXJROTIREHUYEU-WYUUTHIRSA-N 2 1 196.338 1.905 20 0 ADADMP CC1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 307191770 487176334 /nfs/dbraw/zinc/17/63/34/487176334.db2.gz KWAIOANHTZUQJX-MNOVXSKESA-N 2 1 194.322 1.613 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 307191770 487176338 /nfs/dbraw/zinc/17/63/38/487176338.db2.gz KWAIOANHTZUQJX-MNOVXSKESA-N 2 1 194.322 1.613 20 0 ADADMP C[NH+]1CCC([NH2+]CC2=CCCC2)CC1 307261718 487177748 /nfs/dbraw/zinc/17/77/48/487177748.db2.gz QMSURASMLBVJPF-UHFFFAOYSA-N 2 1 194.322 1.781 20 0 ADADMP C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H]1[NH3+] 307381626 487180214 /nfs/dbraw/zinc/18/02/14/487180214.db2.gz ACZAXIUAZNUWGH-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307563046 487183649 /nfs/dbraw/zinc/18/36/49/487183649.db2.gz OVMGBYVBPZZZRC-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307563046 487183651 /nfs/dbraw/zinc/18/36/51/487183651.db2.gz OVMGBYVBPZZZRC-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307553178 487183690 /nfs/dbraw/zinc/18/36/90/487183690.db2.gz LFJNTIJEFCUCAY-DDHJBXDOSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307553182 487183733 /nfs/dbraw/zinc/18/37/33/487183733.db2.gz LFJNTIJEFCUCAY-KXNHARMFSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307563042 487183988 /nfs/dbraw/zinc/18/39/88/487183988.db2.gz OVMGBYVBPZZZRC-DDHJBXDOSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307563042 487183993 /nfs/dbraw/zinc/18/39/93/487183993.db2.gz OVMGBYVBPZZZRC-DDHJBXDOSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307553184 487184061 /nfs/dbraw/zinc/18/40/61/487184061.db2.gz LFJNTIJEFCUCAY-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307563044 487184096 /nfs/dbraw/zinc/18/40/96/487184096.db2.gz OVMGBYVBPZZZRC-KXNHARMFSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307563044 487184101 /nfs/dbraw/zinc/18/41/01/487184101.db2.gz OVMGBYVBPZZZRC-KXNHARMFSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307563043 487184118 /nfs/dbraw/zinc/18/41/18/487184118.db2.gz OVMGBYVBPZZZRC-KKOKHZNYSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307563043 487184125 /nfs/dbraw/zinc/18/41/25/487184125.db2.gz OVMGBYVBPZZZRC-KKOKHZNYSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307553180 487184170 /nfs/dbraw/zinc/18/41/70/487184170.db2.gz LFJNTIJEFCUCAY-KKOKHZNYSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 307587525 487185230 /nfs/dbraw/zinc/18/52/30/487185230.db2.gz UKYDNHAELMHTAG-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 307587522 487185346 /nfs/dbraw/zinc/18/53/46/487185346.db2.gz UKYDNHAELMHTAG-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 307587523 487185445 /nfs/dbraw/zinc/18/54/45/487185445.db2.gz UKYDNHAELMHTAG-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 307587524 487185489 /nfs/dbraw/zinc/18/54/89/487185489.db2.gz UKYDNHAELMHTAG-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C1CCCC1 307678863 487187631 /nfs/dbraw/zinc/18/76/31/487187631.db2.gz PLICOUALLHNBCE-MRVPVSSYSA-N 2 1 156.273 1.127 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C1CCCC1 307678864 487187646 /nfs/dbraw/zinc/18/76/46/487187646.db2.gz PLICOUALLHNBCE-QMMMGPOBSA-N 2 1 156.273 1.127 20 0 ADADMP CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307718089 487189607 /nfs/dbraw/zinc/18/96/07/487189607.db2.gz OMTYINGFRQUGAW-AXFHLTTASA-N 2 1 184.327 1.702 20 0 ADADMP CCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307718090 487189627 /nfs/dbraw/zinc/18/96/27/487189627.db2.gz OMTYINGFRQUGAW-DCAQKATOSA-N 2 1 184.327 1.702 20 0 ADADMP CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307718092 487189718 /nfs/dbraw/zinc/18/97/18/487189718.db2.gz OMTYINGFRQUGAW-VWYCJHECSA-N 2 1 184.327 1.702 20 0 ADADMP CCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307718091 487189735 /nfs/dbraw/zinc/18/97/35/487189735.db2.gz OMTYINGFRQUGAW-MXWKQRLJSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@@H]1CC[N@@H+](CCC[NH3+])C1 307806366 487191781 /nfs/dbraw/zinc/19/17/81/487191781.db2.gz HUMSJHRARNDBDP-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)C[C@H]1CC[N@@H+](CCC[NH3+])C1 307806364 487191845 /nfs/dbraw/zinc/19/18/45/487191845.db2.gz HUMSJHRARNDBDP-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C1CCCCC1 308034593 487193138 /nfs/dbraw/zinc/19/31/38/487193138.db2.gz JYJLXFDBZYACEU-VIFPVBQESA-N 2 1 170.300 1.517 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C1CCCCC1 308034592 487193438 /nfs/dbraw/zinc/19/34/38/487193438.db2.gz JYJLXFDBZYACEU-SECBINFHSA-N 2 1 170.300 1.517 20 0 ADADMP Cc1ccncc1C[NH2+]CC(C)(C)[NH3+] 308647862 487206161 /nfs/dbraw/zinc/20/61/61/487206161.db2.gz IIOPGDHHPDXEQY-UHFFFAOYSA-N 2 1 193.294 1.217 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH2+]C 319471518 487208865 /nfs/dbraw/zinc/20/88/65/487208865.db2.gz WNYXTIDICGUQRN-GUBZILKMSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C(C)C 319109188 487208893 /nfs/dbraw/zinc/20/88/93/487208893.db2.gz GOJAATDIZVBIGT-RKDXNWHRSA-N 2 1 158.289 1.228 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH2+]C 319471520 487208932 /nfs/dbraw/zinc/20/89/32/487208932.db2.gz WNYXTIDICGUQRN-IVZWLZJFSA-N 2 1 172.316 1.619 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](CCC[NH3+])C1CC1 319006367 487208961 /nfs/dbraw/zinc/20/89/61/487208961.db2.gz ODADGWBGLJJMFU-SNVBAGLBSA-N 2 1 184.327 1.844 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C(C)C 319109185 487208990 /nfs/dbraw/zinc/20/89/90/487208990.db2.gz GOJAATDIZVBIGT-BDAKNGLRSA-N 2 1 158.289 1.228 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH2+]C 319471514 487209055 /nfs/dbraw/zinc/20/90/55/487209055.db2.gz WNYXTIDICGUQRN-AEJSXWLSSA-N 2 1 172.316 1.619 20 0 ADADMP CC(C)[C@H](C)[N@@H+](CCC[NH3+])C1CC1 319006366 487209071 /nfs/dbraw/zinc/20/90/71/487209071.db2.gz ODADGWBGLJJMFU-JTQLQIEISA-N 2 1 184.327 1.844 20 0 ADADMP CC[N@@H+](CCC[NH3+])[C@@H](C)C(C)C 319071304 487209110 /nfs/dbraw/zinc/20/91/10/487209110.db2.gz YMVRPCBKBXRHPT-JTQLQIEISA-N 2 1 172.316 1.702 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 319471523 487209119 /nfs/dbraw/zinc/20/91/19/487209119.db2.gz WNYXTIDICGUQRN-LPEHRKFASA-N 2 1 172.316 1.619 20 0 ADADMP CC[N@@H+](CCC[NH3+])[C@H](C)C(C)C 319071305 487209139 /nfs/dbraw/zinc/20/91/39/487209139.db2.gz YMVRPCBKBXRHPT-SNVBAGLBSA-N 2 1 172.316 1.702 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C(C)C 319109187 487209180 /nfs/dbraw/zinc/20/91/80/487209180.db2.gz GOJAATDIZVBIGT-IUCAKERBSA-N 2 1 158.289 1.228 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C(C)C 319109186 487209238 /nfs/dbraw/zinc/20/92/38/487209238.db2.gz GOJAATDIZVBIGT-DTWKUNHWSA-N 2 1 158.289 1.228 20 0 ADADMP CC(C)(CC[N@@H+]1CC[C@@H]([NH3+])C1)C1CC1 328426495 487227386 /nfs/dbraw/zinc/22/73/86/487227386.db2.gz LTKYQKQBANTQGK-LLVKDONJSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)(CC[N@H+]1CC[C@@H]([NH3+])C1)C1CC1 328426495 487227388 /nfs/dbraw/zinc/22/73/88/487227388.db2.gz LTKYQKQBANTQGK-LLVKDONJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CC(C)(C)C[N@H+]1CCC[NH3+] 334851276 487229159 /nfs/dbraw/zinc/22/91/59/487229159.db2.gz BPPPAXITEKXYNI-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1CC(C)(C)C[N@H+]1CCC[NH3+] 334851274 487229331 /nfs/dbraw/zinc/22/93/31/487229331.db2.gz BPPPAXITEKXYNI-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 379152279 487236851 /nfs/dbraw/zinc/23/68/51/487236851.db2.gz COXCQHCEZGQHJZ-BDAKNGLRSA-N 2 1 158.289 1.373 20 0 ADADMP CCC[C@H](C)[NH2+][C@H](C)C[NH2+]C 379152280 487237189 /nfs/dbraw/zinc/23/71/89/487237189.db2.gz COXCQHCEZGQHJZ-DTWKUNHWSA-N 2 1 158.289 1.373 20 0 ADADMP CCC[C@H](C)[NH2+][C@@H](C)C[NH2+]C 379152283 487237300 /nfs/dbraw/zinc/23/73/00/487237300.db2.gz COXCQHCEZGQHJZ-IUCAKERBSA-N 2 1 158.289 1.373 20 0 ADADMP CCC[C@@H](C)[NH2+][C@H](C)C[NH2+]C 379152284 487237324 /nfs/dbraw/zinc/23/73/24/487237324.db2.gz COXCQHCEZGQHJZ-RKDXNWHRSA-N 2 1 158.289 1.373 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CC=CC1 379482648 487244331 /nfs/dbraw/zinc/24/43/31/487244331.db2.gz CLZHYVFBGJFVHD-LBPRGKRZSA-N 2 1 196.338 1.916 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CC=CC1 379482647 487244736 /nfs/dbraw/zinc/24/47/36/487244736.db2.gz CLZHYVFBGJFVHD-GFCCVEGCSA-N 2 1 196.338 1.916 20 0 ADADMP CC1(C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 380158699 487248129 /nfs/dbraw/zinc/24/81/29/487248129.db2.gz ZYKIVMZPZZZGMN-NSHDSACASA-N 2 1 196.338 1.847 20 0 ADADMP CC1(C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 380158695 487248581 /nfs/dbraw/zinc/24/85/81/487248581.db2.gz ZYKIVMZPZZZGMN-LLVKDONJSA-N 2 1 196.338 1.847 20 0 ADADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCC[NH3+] 383905346 487252508 /nfs/dbraw/zinc/25/25/08/487252508.db2.gz QLNIGRGLOCAVBI-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H]1CCC[C@H](C)C1 383083129 487251584 /nfs/dbraw/zinc/25/15/84/487251584.db2.gz AHGOESKGTGNYKZ-WDEREUQCSA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H]1CCC[C@H](C)C1 383083128 487251753 /nfs/dbraw/zinc/25/17/53/487251753.db2.gz AHGOESKGTGNYKZ-QWRGUYRKSA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 383083126 487251792 /nfs/dbraw/zinc/25/17/92/487251792.db2.gz AHGOESKGTGNYKZ-GHMZBOCLSA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H]1CCC[C@@H](C)C1 383083127 487251821 /nfs/dbraw/zinc/25/18/21/487251821.db2.gz AHGOESKGTGNYKZ-MNOVXSKESA-N 2 1 184.327 1.622 20 0 ADADMP CCOCCC[N@@H+](C)CC(C)(C)[NH3+] 382949591 487251948 /nfs/dbraw/zinc/25/19/48/487251948.db2.gz LKFMEJRUAJQVDI-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CC[C@H]1[C@@H](C)CC[N@H+]1CCC[NH3+] 383905347 487252204 /nfs/dbraw/zinc/25/22/04/487252204.db2.gz QLNIGRGLOCAVBI-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CCC[C@@H](C[NH2+][C@H](C)C[NH3+])C1 383196279 487252393 /nfs/dbraw/zinc/25/23/93/487252393.db2.gz XWCRLMXDYBDKDM-HBNTYKKESA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CCC[C@H](C[NH2+][C@H](C)C[NH3+])C1 383196276 487252401 /nfs/dbraw/zinc/25/24/01/487252401.db2.gz XWCRLMXDYBDKDM-AXFHLTTASA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[NH3+] 383905348 487252603 /nfs/dbraw/zinc/25/26/03/487252603.db2.gz QLNIGRGLOCAVBI-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H]1[C@H](C)CC[N@H+]1CCC[NH3+] 383905349 487252628 /nfs/dbraw/zinc/25/26/28/487252628.db2.gz QLNIGRGLOCAVBI-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[N@@H+](CCC[NH3+])C(C1CC1)C1CC1 388119687 487258860 /nfs/dbraw/zinc/25/88/60/487258860.db2.gz NRVSQMGDDXITGI-UHFFFAOYSA-N 2 1 182.311 1.456 20 0 ADADMP CCCC[NH2+][C@@](C)(C[NH3+])C(C)C 393315410 487266002 /nfs/dbraw/zinc/26/60/02/487266002.db2.gz MQQICWZKCYBOEQ-JTQLQIEISA-N 2 1 172.316 1.750 20 0 ADADMP CCCC[NH2+][C@](C)(C[NH3+])C(C)C 393315411 487266218 /nfs/dbraw/zinc/26/62/18/487266218.db2.gz MQQICWZKCYBOEQ-SNVBAGLBSA-N 2 1 172.316 1.750 20 0 ADADMP C[N@@H+](CCC[NH3+])C1CC(C)(C)C1 395165120 487272245 /nfs/dbraw/zinc/27/22/45/487272245.db2.gz CASINKGTGCTMPT-UHFFFAOYSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396621541 487274934 /nfs/dbraw/zinc/27/49/34/487274934.db2.gz IZQFVIGOPKMUAL-HBNTYKKESA-N 2 1 184.327 1.763 20 0 ADADMP COCCCC[N@@H+](C)CC(C)(C)[NH3+] 397378191 487277201 /nfs/dbraw/zinc/27/72/01/487277201.db2.gz HKTRSZOHZOPURM-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCC2)C1 398611316 487285150 /nfs/dbraw/zinc/28/51/50/487285150.db2.gz BAFJEQQTWPJHGL-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+][C@H](C)C[NH3+] 398049498 487281712 /nfs/dbraw/zinc/28/17/12/487281712.db2.gz CRCPVJNPVDLJLT-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+][C@H]1CCC[NH2+]C1 398086296 487282252 /nfs/dbraw/zinc/28/22/52/487282252.db2.gz NWCLZVZVIFMNPW-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[NH2+]C1 398086300 487282318 /nfs/dbraw/zinc/28/23/18/487282318.db2.gz NWCLZVZVIFMNPW-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CCC1CC1 398049503 487282350 /nfs/dbraw/zinc/28/23/50/487282350.db2.gz CRCPVJNPVDLJLT-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)CCC1CC1 398103594 487282392 /nfs/dbraw/zinc/28/23/92/487282392.db2.gz UMILIGQJGDVGKT-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 398086302 487282431 /nfs/dbraw/zinc/28/24/31/487282431.db2.gz NWCLZVZVIFMNPW-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CCC1CC1 398060867 487282443 /nfs/dbraw/zinc/28/24/43/487282443.db2.gz BRMDVRWNNFFIDZ-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+][C@@H]1CCC[NH2+]C1 398086295 487282558 /nfs/dbraw/zinc/28/25/58/487282558.db2.gz NWCLZVZVIFMNPW-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)CCC1CC1 398103595 487282602 /nfs/dbraw/zinc/28/26/02/487282602.db2.gz UMILIGQJGDVGKT-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CCC1CC1 398060868 487282816 /nfs/dbraw/zinc/28/28/16/487282816.db2.gz BRMDVRWNNFFIDZ-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCC2)C1 398611317 487284677 /nfs/dbraw/zinc/28/46/77/487284677.db2.gz BAFJEQQTWPJHGL-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC2CCC2)C1 398618148 487284933 /nfs/dbraw/zinc/28/49/33/487284933.db2.gz DISJKNPBXSBXEK-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CCC2CCC2)C1 398618147 487285072 /nfs/dbraw/zinc/28/50/72/487285072.db2.gz DISJKNPBXSBXEK-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC2CCC2)C1 398611319 487285208 /nfs/dbraw/zinc/28/52/08/487285208.db2.gz BAFJEQQTWPJHGL-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC2CCC2)C1 398611320 487285225 /nfs/dbraw/zinc/28/52/25/487285225.db2.gz BAFJEQQTWPJHGL-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+]1CCC1CCC1 398795943 487285711 /nfs/dbraw/zinc/28/57/11/487285711.db2.gz ULNWDOUDHNENAM-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+]1CCC1CCC1 398795943 487285714 /nfs/dbraw/zinc/28/57/14/487285714.db2.gz ULNWDOUDHNENAM-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@@H](C[NH2+]Cc1ccsc1)C1CC1 399180592 487285891 /nfs/dbraw/zinc/28/58/91/487285891.db2.gz COALMIXYJKIHBY-JTQLQIEISA-N 2 1 196.319 1.575 20 0 ADADMP C[N@@H+](CCC1CCC1)C1CC([NH3+])C1 398933297 487285964 /nfs/dbraw/zinc/28/59/64/487285964.db2.gz RPHLOCBJFRAFRH-UHFFFAOYSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCC1 398723433 487286019 /nfs/dbraw/zinc/28/60/19/487286019.db2.gz QNRWILHLUQUDEO-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+][C@@H](C[NH2+]Cc1cccs1)C1CC1 399183520 487286063 /nfs/dbraw/zinc/28/60/63/487286063.db2.gz DZHOEBVVSXXLOL-JTQLQIEISA-N 2 1 196.319 1.575 20 0 ADADMP [NH3+][C@H](C[NH2+]Cc1cccs1)C1CC1 399183521 487286093 /nfs/dbraw/zinc/28/60/93/487286093.db2.gz DZHOEBVVSXXLOL-SNVBAGLBSA-N 2 1 196.319 1.575 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCC1 398723432 487286123 /nfs/dbraw/zinc/28/61/23/487286123.db2.gz QNRWILHLUQUDEO-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+][C@H](C[NH2+]Cc1ccsc1)C1CC1 399180593 487286150 /nfs/dbraw/zinc/28/61/50/487286150.db2.gz COALMIXYJKIHBY-SNVBAGLBSA-N 2 1 196.319 1.575 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC1CCC1 398723429 487286160 /nfs/dbraw/zinc/28/61/60/487286160.db2.gz QNRWILHLUQUDEO-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC1CCC1 398723430 487286205 /nfs/dbraw/zinc/28/62/05/487286205.db2.gz QNRWILHLUQUDEO-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC1CCC1 398747446 487286380 /nfs/dbraw/zinc/28/63/80/487286380.db2.gz ZFXPPWFYODPQPN-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC1CCC1 398747444 487286473 /nfs/dbraw/zinc/28/64/73/487286473.db2.gz ZFXPPWFYODPQPN-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@@H](C2CC2)C1 400298446 487286711 /nfs/dbraw/zinc/28/67/11/487286711.db2.gz SHJVIIQTEGODPE-SNVBAGLBSA-N 2 1 168.284 1.067 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@H](C2CC2)C1 400298445 487287162 /nfs/dbraw/zinc/28/71/62/487287162.db2.gz SHJVIIQTEGODPE-JTQLQIEISA-N 2 1 168.284 1.067 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CC2CC=CC2)C1 642826358 487309355 /nfs/dbraw/zinc/30/93/55/487309355.db2.gz OOURQHQDKJTIKI-NSHDSACASA-N 2 1 180.295 1.246 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CC2CC=CC2)C1 642826358 487309357 /nfs/dbraw/zinc/30/93/57/487309357.db2.gz OOURQHQDKJTIKI-NSHDSACASA-N 2 1 180.295 1.246 20 0 ADADMP C[N@@H+](CC1CC=CC1)C1CC([NH3+])C1 642844836 487309422 /nfs/dbraw/zinc/30/94/22/487309422.db2.gz OXWPCWOCFQRHNZ-UHFFFAOYSA-N 2 1 180.295 1.374 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CC2CC=CC2)C1 642826357 487309476 /nfs/dbraw/zinc/30/94/76/487309476.db2.gz OOURQHQDKJTIKI-LLVKDONJSA-N 2 1 180.295 1.246 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CC2CC=CC2)C1 642826357 487309480 /nfs/dbraw/zinc/30/94/80/487309480.db2.gz OOURQHQDKJTIKI-LLVKDONJSA-N 2 1 180.295 1.246 20 0 ADADMP C[N@@H+](CC1(C)CC1)C1CC([NH3+])C1 642858166 487310374 /nfs/dbraw/zinc/31/03/74/487310374.db2.gz RZOVMTRNWBSONL-UHFFFAOYSA-N 2 1 168.284 1.208 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCCC1(C)C 666781596 487337967 /nfs/dbraw/zinc/33/79/67/487337967.db2.gz XUKAULJHIBXPMY-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 666779027 487338443 /nfs/dbraw/zinc/33/84/43/487338443.db2.gz ZCPJUAZDXLPGDR-NEPJUHHUSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1C 666201491 487324368 /nfs/dbraw/zinc/32/43/68/487324368.db2.gz JSJVBEQUBFFFAB-DCAQKATOSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1C 666201491 487324370 /nfs/dbraw/zinc/32/43/70/487324370.db2.gz JSJVBEQUBFFFAB-DCAQKATOSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@@H+]1C 666201490 487324650 /nfs/dbraw/zinc/32/46/50/487324650.db2.gz JSJVBEQUBFFFAB-AXFHLTTASA-N 2 1 196.338 1.857 20 0 ADADMP C[C@H]1C[C@H]([NH2+][C@H]2CC2(C)C)CC[N@H+]1C 666201490 487324653 /nfs/dbraw/zinc/32/46/53/487324653.db2.gz JSJVBEQUBFFFAB-AXFHLTTASA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC[NH3+] 666640299 487330800 /nfs/dbraw/zinc/33/08/00/487330800.db2.gz UZOYBTURBHVRKN-GRYCIOLGSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H](C1CC1)[N@@H+](CCC[NH3+])C1CC1 666624701 487330861 /nfs/dbraw/zinc/33/08/61/487330861.db2.gz BDHOYYFHQGAWMW-SECBINFHSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC[NH3+] 666640304 487330920 /nfs/dbraw/zinc/33/09/20/487330920.db2.gz UZOYBTURBHVRKN-UTUOFQBUSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC[NH3+] 666640301 487330970 /nfs/dbraw/zinc/33/09/70/487330970.db2.gz UZOYBTURBHVRKN-IJLUTSLNSA-N 2 1 196.338 1.988 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 666611653 487331174 /nfs/dbraw/zinc/33/11/74/487331174.db2.gz XTAJNHLBWBDMCJ-LLVKDONJSA-N 2 1 193.294 1.500 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H]1C1CCC1 666636292 487331192 /nfs/dbraw/zinc/33/11/92/487331192.db2.gz NXIVNHYYGROMHU-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H]1c1ccc[nH]1 666611654 487331233 /nfs/dbraw/zinc/33/12/33/487331233.db2.gz XTAJNHLBWBDMCJ-NSHDSACASA-N 2 1 193.294 1.500 20 0 ADADMP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC[NH3+] 666640307 487331426 /nfs/dbraw/zinc/33/14/26/487331426.db2.gz UZOYBTURBHVRKN-WOPDTQHZSA-N 2 1 196.338 1.988 20 0 ADADMP CC[C@]1(C)CCC[N@@H+](CCC[NH3+])C1 666641002 487331459 /nfs/dbraw/zinc/33/14/59/487331459.db2.gz BRSRTGNVJQCMKW-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C1CCC1 666636291 487331498 /nfs/dbraw/zinc/33/14/98/487331498.db2.gz NXIVNHYYGROMHU-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP C[C@@H](C1CC1)[N@@H+](CCC[NH3+])C1CC1 666624703 487331535 /nfs/dbraw/zinc/33/15/35/487331535.db2.gz BDHOYYFHQGAWMW-VIFPVBQESA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@H]2CCCC[C@@H]12 666654500 487331769 /nfs/dbraw/zinc/33/17/69/487331769.db2.gz JBTRPEFAILFAKB-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@]1(C)CCC[N@@H+](CCC[NH3+])C1 666641003 487331850 /nfs/dbraw/zinc/33/18/50/487331850.db2.gz BRSRTGNVJQCMKW-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP CC(C)[C@@H]1CCC[N@@H+](CCC[NH3+])C1 666691972 487331886 /nfs/dbraw/zinc/33/18/86/487331886.db2.gz CIPIHMIYOBYPND-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP CCC[C@H]1CCC[N@@H+](CCC[NH3+])C1 666646041 487332144 /nfs/dbraw/zinc/33/21/44/487332144.db2.gz NEGVTXOPWTTYDF-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@H]12 666654498 487332320 /nfs/dbraw/zinc/33/23/20/487332320.db2.gz JBTRPEFAILFAKB-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[C@@H]1CCC[N@@H+](CCC[NH3+])C1 666646040 487332375 /nfs/dbraw/zinc/33/23/75/487332375.db2.gz NEGVTXOPWTTYDF-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP CC(C)[C@H]1CCC[N@@H+](CCC[NH3+])C1 666691973 487332405 /nfs/dbraw/zinc/33/24/05/487332405.db2.gz CIPIHMIYOBYPND-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@H]2CCCC[C@H]12 666654499 487332415 /nfs/dbraw/zinc/33/24/15/487332415.db2.gz JBTRPEFAILFAKB-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@@H]12 666654497 487332538 /nfs/dbraw/zinc/33/25/38/487332538.db2.gz JBTRPEFAILFAKB-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]CCC[N@H+](CC1CCC1)CC1CC1 666715315 487332960 /nfs/dbraw/zinc/33/29/60/487332960.db2.gz STGGPXGLXRUERL-UHFFFAOYSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732419 487332988 /nfs/dbraw/zinc/33/29/88/487332988.db2.gz PMGLNTKCKZFLPJ-FIQHERPVSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732419 487332991 /nfs/dbraw/zinc/33/29/91/487332991.db2.gz PMGLNTKCKZFLPJ-FIQHERPVSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732428 487332997 /nfs/dbraw/zinc/33/29/97/487332997.db2.gz PMGLNTKCKZFLPJ-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732428 487333000 /nfs/dbraw/zinc/33/30/00/487333000.db2.gz PMGLNTKCKZFLPJ-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732404 487333231 /nfs/dbraw/zinc/33/32/31/487333231.db2.gz NAQPOKPAZIYYEI-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H](C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732404 487333235 /nfs/dbraw/zinc/33/32/35/487333235.db2.gz NAQPOKPAZIYYEI-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732426 487333571 /nfs/dbraw/zinc/33/35/71/487333571.db2.gz PMGLNTKCKZFLPJ-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732424 487333533 /nfs/dbraw/zinc/33/35/33/487333533.db2.gz PMGLNTKCKZFLPJ-NNYUYHANSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732424 487333537 /nfs/dbraw/zinc/33/35/37/487333537.db2.gz PMGLNTKCKZFLPJ-NNYUYHANSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 666732426 487333573 /nfs/dbraw/zinc/33/35/73/487333573.db2.gz PMGLNTKCKZFLPJ-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP CC(C)C[C@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666747984 487333788 /nfs/dbraw/zinc/33/37/88/487333788.db2.gz BAHBOPOFUPKBSF-JQWIXIFHSA-N 2 1 198.354 1.996 20 0 ADADMP C[C@H](CC1CC1)[NH2+][C@H](C[NH3+])C1CC1 666746610 487333821 /nfs/dbraw/zinc/33/38/21/487333821.db2.gz IVERASAGZPWDDU-LDYMZIIASA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+][C@H](C[NH3+])C1CC1 666746638 487333832 /nfs/dbraw/zinc/33/38/32/487333832.db2.gz NRHKWBFPRXLETH-JOYOIKCWSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 666746620 487333853 /nfs/dbraw/zinc/33/38/53/487333853.db2.gz LGHUABWOVJNMHZ-JLLWLGSASA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)CCC[NH2+][C@H](C[NH3+])C1CC1 666746601 487333871 /nfs/dbraw/zinc/33/38/71/487333871.db2.gz HWUXRTVPBSWJEM-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](CC1CC1)[NH2+][C@@H](C[NH3+])C1CC1 666746609 487333926 /nfs/dbraw/zinc/33/39/26/487333926.db2.gz IVERASAGZPWDDU-KWQFWETISA-N 2 1 182.311 1.502 20 0 ADADMP CC(C)CCC[NH2+][C@@H](C[NH3+])C1CC1 666746602 487333935 /nfs/dbraw/zinc/33/39/35/487333935.db2.gz HWUXRTVPBSWJEM-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H](CC1CCC1)[NH2+][C@H](C[NH3+])C1CC1 666746636 487333944 /nfs/dbraw/zinc/33/39/44/487333944.db2.gz NRHKWBFPRXLETH-BXKDBHETSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+][C@H](C[NH3+])C1CC1 666746605 487333991 /nfs/dbraw/zinc/33/39/91/487333991.db2.gz IALHDDZNBAJLKI-JOYOIKCWSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H](CC1CC1)[NH2+][C@@H](C[NH3+])C1CC1 666746608 487334002 /nfs/dbraw/zinc/33/40/02/487334002.db2.gz IVERASAGZPWDDU-KCJUWKMLSA-N 2 1 182.311 1.502 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@H](C[NH3+])C1CC1 666746667 487334034 /nfs/dbraw/zinc/33/40/34/487334034.db2.gz YFGRXJZGDJCJHL-GHMZBOCLSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+][C@@H](C[NH3+])C1CC1 666746637 487334044 /nfs/dbraw/zinc/33/40/44/487334044.db2.gz NRHKWBFPRXLETH-CABZTGNLSA-N 2 1 196.338 1.892 20 0 ADADMP [NH3+]C[C@H]([NH2+]CC1CCCCC1)C1CC1 666746295 487334055 /nfs/dbraw/zinc/33/40/55/487334055.db2.gz AHUHLDORKQJKJQ-LBPRGKRZSA-N 2 1 196.338 1.894 20 0 ADADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCC1 666748024 487334063 /nfs/dbraw/zinc/33/40/63/487334063.db2.gz KLYQIOPSBHRPFB-GZMMTYOYSA-N 2 1 182.311 1.502 20 0 ADADMP CC(C)(C)CC[NH2+][C@H](C[NH3+])C1CC1 666746614 487334070 /nfs/dbraw/zinc/33/40/70/487334070.db2.gz KOFTWIIMCZOCFO-SNVBAGLBSA-N 2 1 184.327 1.750 20 0 ADADMP CC1CC([NH2+][C@@H](C[NH3+])C2CC2)C1 666746675 487334086 /nfs/dbraw/zinc/33/40/86/487334086.db2.gz ZKMZGNPMNKMDGR-GDRRJGKNSA-N 2 1 168.284 1.112 20 0 ADADMP CCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 666746615 487334124 /nfs/dbraw/zinc/33/41/24/487334124.db2.gz KUDKDCUYZXWYHI-GXSJLCMTSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 666746617 487334158 /nfs/dbraw/zinc/33/41/58/487334158.db2.gz KUDKDCUYZXWYHI-MWLCHTKSSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](CCC1CC1)[NH2+][C@@H](C[NH3+])C1CC1 666746606 487334175 /nfs/dbraw/zinc/33/41/75/487334175.db2.gz IALHDDZNBAJLKI-SKDRFNHKSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H](CCC1CC1)[NH2+][C@H](C[NH3+])C1CC1 666746603 487334203 /nfs/dbraw/zinc/33/42/03/487334203.db2.gz IALHDDZNBAJLKI-BXKDBHETSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666746644 487334211 /nfs/dbraw/zinc/33/42/11/487334211.db2.gz QSKNEMVUDXJXGA-PSASIEDQSA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)(C)CC[NH2+][C@@H](C[NH3+])C1CC1 666746613 487334238 /nfs/dbraw/zinc/33/42/38/487334238.db2.gz KOFTWIIMCZOCFO-JTQLQIEISA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 666746616 487334253 /nfs/dbraw/zinc/33/42/53/487334253.db2.gz KUDKDCUYZXWYHI-KOLCDFICSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[C@@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666747986 487334271 /nfs/dbraw/zinc/33/42/71/487334271.db2.gz BAHBOPOFUPKBSF-ZYHUDNBSSA-N 2 1 198.354 1.996 20 0 ADADMP [NH3+]C[C@@H]([NH2+]CC1CCCCC1)C1CC1 666746294 487334280 /nfs/dbraw/zinc/33/42/80/487334280.db2.gz AHUHLDORKQJKJQ-GFCCVEGCSA-N 2 1 196.338 1.894 20 0 ADADMP CCC[C@H](CC)[NH2+][C@H](C[NH3+])C1CC1 666746670 487334286 /nfs/dbraw/zinc/33/42/86/487334286.db2.gz YFGRXJZGDJCJHL-WDEREUQCSA-N 2 1 184.327 1.892 20 0 ADADMP CCC[C@H](CC)[NH2+][C@@H](C[NH3+])C1CC1 666746669 487334314 /nfs/dbraw/zinc/33/43/14/487334314.db2.gz YFGRXJZGDJCJHL-QWRGUYRKSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 666746622 487334347 /nfs/dbraw/zinc/33/43/47/487334347.db2.gz LGHUABWOVJNMHZ-YUSALJHKSA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)C[C@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666747983 487334365 /nfs/dbraw/zinc/33/43/65/487334365.db2.gz BAHBOPOFUPKBSF-CMPLNLGQSA-N 2 1 198.354 1.996 20 0 ADADMP CC1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 666746631 487334373 /nfs/dbraw/zinc/33/43/73/487334373.db2.gz NAORVSCJYKIIKH-QEWOUOOISA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 666746627 487334391 /nfs/dbraw/zinc/33/43/91/487334391.db2.gz MKAAPWJDUKNKRJ-MIMYLULJSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H](C)C[NH2+][C@H](C[NH3+])C1CC1 666746646 487334401 /nfs/dbraw/zinc/33/44/01/487334401.db2.gz QSKNEMVUDXJXGA-WCBMZHEXSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 666746621 487334411 /nfs/dbraw/zinc/33/44/11/487334411.db2.gz LGHUABWOVJNMHZ-USWWRNFRSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 666746619 487334422 /nfs/dbraw/zinc/33/44/22/487334422.db2.gz LGHUABWOVJNMHZ-ADEWGFFLSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666746645 487334430 /nfs/dbraw/zinc/33/44/30/487334430.db2.gz QSKNEMVUDXJXGA-SCZZXKLOSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 666746626 487334440 /nfs/dbraw/zinc/33/44/40/487334440.db2.gz MKAAPWJDUKNKRJ-IEBDPFPHSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 666746624 487334449 /nfs/dbraw/zinc/33/44/49/487334449.db2.gz MKAAPWJDUKNKRJ-DVVUODLYSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](CC1CC1)[NH2+][C@H](C[NH3+])C1CC1 666746607 487334457 /nfs/dbraw/zinc/33/44/57/487334457.db2.gz IVERASAGZPWDDU-GZMMTYOYSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCC1 666748026 487334464 /nfs/dbraw/zinc/33/44/64/487334464.db2.gz KLYQIOPSBHRPFB-KWQFWETISA-N 2 1 182.311 1.502 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CC1 666746668 487334505 /nfs/dbraw/zinc/33/45/05/487334505.db2.gz YFGRXJZGDJCJHL-MNOVXSKESA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 666746618 487334538 /nfs/dbraw/zinc/33/45/38/487334538.db2.gz KUDKDCUYZXWYHI-ONGXEEELSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](CC1CCC1)[NH2+][C@@H](C[NH3+])C1CC1 666746639 487334512 /nfs/dbraw/zinc/33/45/12/487334512.db2.gz NRHKWBFPRXLETH-SKDRFNHKSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666746647 487334622 /nfs/dbraw/zinc/33/46/22/487334622.db2.gz QSKNEMVUDXJXGA-WPRPVWTQSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 666746625 487334556 /nfs/dbraw/zinc/33/45/56/487334556.db2.gz MKAAPWJDUKNKRJ-FBIMIBRVSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCC1 666748025 487334564 /nfs/dbraw/zinc/33/45/64/487334564.db2.gz KLYQIOPSBHRPFB-KCJUWKMLSA-N 2 1 182.311 1.502 20 0 ADADMP CC1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 666746630 487334580 /nfs/dbraw/zinc/33/45/80/487334580.db2.gz NAORVSCJYKIIKH-NHNAUAITSA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)C[C@@H](C)C[NH2+][C@@H](C[NH3+])C1CC1 666747985 487334590 /nfs/dbraw/zinc/33/45/90/487334590.db2.gz BAHBOPOFUPKBSF-PWSUYJOCSA-N 2 1 198.354 1.996 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+][C@@H](C[NH3+])C1CC1 666746604 487334596 /nfs/dbraw/zinc/33/45/96/487334596.db2.gz IALHDDZNBAJLKI-CABZTGNLSA-N 2 1 196.338 1.892 20 0 ADADMP CC1CC([NH2+][C@H](C[NH3+])C2CC2)C1 666746676 487334652 /nfs/dbraw/zinc/33/46/52/487334652.db2.gz ZKMZGNPMNKMDGR-YXGXMSFMSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@@H](C[NH2+][C@H](C[NH3+])C1CC1)C(C)(C)C 666748050 487334811 /nfs/dbraw/zinc/33/48/11/487334811.db2.gz UQNHVCJSCVKYFN-GXSJLCMTSA-N 2 1 198.354 1.996 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+]C1CC(C)C1 666759178 487335017 /nfs/dbraw/zinc/33/50/17/487335017.db2.gz IUOHYGFGHCIFTL-HSOILSAZSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCC1 666748027 487335067 /nfs/dbraw/zinc/33/50/67/487335067.db2.gz KLYQIOPSBHRPFB-LDYMZIIASA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH2+][C@@H](C[NH3+])C1CC1)C(C)(C)C 666748054 487335163 /nfs/dbraw/zinc/33/51/63/487335163.db2.gz UQNHVCJSCVKYFN-ONGXEEELSA-N 2 1 198.354 1.996 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+]C1CC(C)C1 666759179 487335257 /nfs/dbraw/zinc/33/52/57/487335257.db2.gz IUOHYGFGHCIFTL-YVNMAJEFSA-N 2 1 184.327 1.892 20 0 ADADMP Cc1ncccc1C[NH2+]CC(C)(C)[NH3+] 666750832 487335306 /nfs/dbraw/zinc/33/53/06/487335306.db2.gz IDQKWKYDGYGUCQ-UHFFFAOYSA-N 2 1 193.294 1.217 20 0 ADADMP C[C@H](C[NH2+][C@H](C[NH3+])C1CC1)C(C)(C)C 666748052 487335320 /nfs/dbraw/zinc/33/53/20/487335320.db2.gz UQNHVCJSCVKYFN-MWLCHTKSSA-N 2 1 198.354 1.996 20 0 ADADMP C[C@H](C[NH2+][C@@H](C[NH3+])C1CC1)C(C)(C)C 666748051 487335460 /nfs/dbraw/zinc/33/54/60/487335460.db2.gz UQNHVCJSCVKYFN-KOLCDFICSA-N 2 1 198.354 1.996 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CC1CCC1 666778884 487336738 /nfs/dbraw/zinc/33/67/38/487336738.db2.gz OOZOCWBFFWGPKP-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C 666778850 487336704 /nfs/dbraw/zinc/33/67/04/487336704.db2.gz KHLXGFOSGYCBJA-HBNTYKKESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C 666778848 487336727 /nfs/dbraw/zinc/33/67/27/487336727.db2.gz KHLXGFOSGYCBJA-GARJFASQSA-N 2 1 184.327 1.620 20 0 ADADMP CCCC(CCC)[NH2+]CC[NH2+]C 666779011 487336751 /nfs/dbraw/zinc/33/67/51/487336751.db2.gz XOSSIDMHRPIRFX-UHFFFAOYSA-N 2 1 172.316 1.764 20 0 ADADMP C[NH2+]CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 666778896 487336806 /nfs/dbraw/zinc/33/68/06/487336806.db2.gz QITDLWFWERVUHY-NXEZZACHSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 666778851 487336813 /nfs/dbraw/zinc/33/68/13/487336813.db2.gz KHLXGFOSGYCBJA-OUAUKWLOSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 666778899 487336827 /nfs/dbraw/zinc/33/68/27/487336827.db2.gz QITDLWFWERVUHY-UWVGGRQHSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC[C@H]1C1CC1 666778837 487336849 /nfs/dbraw/zinc/33/68/49/487336849.db2.gz HKWVJXHRBBLSFK-RYUDHWBXSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 666778879 487336854 /nfs/dbraw/zinc/33/68/54/487336854.db2.gz OGCFNCLULSJCNQ-HBNTYKKESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 666778880 487336870 /nfs/dbraw/zinc/33/68/70/487336870.db2.gz OGCFNCLULSJCNQ-OUAUKWLOSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 666778992 487336904 /nfs/dbraw/zinc/33/69/04/487336904.db2.gz WGCKIQFZWRHILP-GMTAPVOTSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H]1CCCC[C@H]1C 666778324 487336911 /nfs/dbraw/zinc/33/69/11/487336911.db2.gz JZCWVZVHDAGXCD-GHMZBOCLSA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H]1CCCC[C@@H]1C 666778326 487336935 /nfs/dbraw/zinc/33/69/35/487336935.db2.gz JZCWVZVHDAGXCD-QWRGUYRKSA-N 2 1 184.327 1.622 20 0 ADADMP CCC1CCC([NH2+]CC[NH2+]C)CC1 666778847 487336942 /nfs/dbraw/zinc/33/69/42/487336942.db2.gz JFQFWQBXBPZAAO-UHFFFAOYSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCCC1(C)C 666779008 487336949 /nfs/dbraw/zinc/33/69/49/487336949.db2.gz XIORMBYDWNHLDK-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H]1CCCC[C@@H]1C 666778327 487336956 /nfs/dbraw/zinc/33/69/56/487336956.db2.gz JZCWVZVHDAGXCD-WDEREUQCSA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CC1CCC1 666778883 487336977 /nfs/dbraw/zinc/33/69/77/487336977.db2.gz OOZOCWBFFWGPKP-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 666778838 487336989 /nfs/dbraw/zinc/33/69/89/487336989.db2.gz HKWVJXHRBBLSFK-VXGBXAGGSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC1(C)C 666778998 487336993 /nfs/dbraw/zinc/33/69/93/487336993.db2.gz XDDQSPJAMXYWIF-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 666778877 487337042 /nfs/dbraw/zinc/33/70/42/487337042.db2.gz OGCFNCLULSJCNQ-GMTAPVOTSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H]1CCCC[C@H]1C 666778325 487337048 /nfs/dbraw/zinc/33/70/48/487337048.db2.gz JZCWVZVHDAGXCD-MNOVXSKESA-N 2 1 184.327 1.622 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C 666778991 487337079 /nfs/dbraw/zinc/33/70/79/487337079.db2.gz WGCKIQFZWRHILP-GARJFASQSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+]C1CCC(C)(C)CC1 666778881 487337161 /nfs/dbraw/zinc/33/71/61/487337161.db2.gz OGEFMDHDIWNEKL-UHFFFAOYSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 666778835 487337182 /nfs/dbraw/zinc/33/71/82/487337182.db2.gz HKWVJXHRBBLSFK-NEPJUHHUSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCCC1(C)C 666779010 487337209 /nfs/dbraw/zinc/33/72/09/487337209.db2.gz XIORMBYDWNHLDK-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 666778995 487337224 /nfs/dbraw/zinc/33/72/24/487337224.db2.gz WGCKIQFZWRHILP-OUAUKWLOSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1 666778897 487337231 /nfs/dbraw/zinc/33/72/31/487337231.db2.gz QITDLWFWERVUHY-URLYPYJESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CC1CCCC1 666778839 487337249 /nfs/dbraw/zinc/33/72/49/487337249.db2.gz HKYISLXJONTLMR-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 666778876 487337259 /nfs/dbraw/zinc/33/72/59/487337259.db2.gz OGCFNCLULSJCNQ-GARJFASQSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CC1CCCC1 666778840 487337267 /nfs/dbraw/zinc/33/72/67/487337267.db2.gz HKYISLXJONTLMR-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C 666778993 487337305 /nfs/dbraw/zinc/33/73/05/487337305.db2.gz WGCKIQFZWRHILP-HBNTYKKESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC1(C)C 666778996 487337367 /nfs/dbraw/zinc/33/73/67/487337367.db2.gz XDDQSPJAMXYWIF-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 666778849 487337460 /nfs/dbraw/zinc/33/74/60/487337460.db2.gz KHLXGFOSGYCBJA-GMTAPVOTSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 666778836 487337467 /nfs/dbraw/zinc/33/74/67/487337467.db2.gz HKWVJXHRBBLSFK-NWDGAFQWSA-N 2 1 196.338 1.764 20 0 ADADMP CC[C@H]1CCC[C@H]([NH2+]CC[NH2+]C)C1 666779035 487337664 /nfs/dbraw/zinc/33/76/64/487337664.db2.gz ZJHFXBCJCCIQNK-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1C 666781609 487337679 /nfs/dbraw/zinc/33/76/79/487337679.db2.gz YYVXNCIHKHZQPM-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C)C1 666779034 487337715 /nfs/dbraw/zinc/33/77/15/487337715.db2.gz ZJHFXBCJCCIQNK-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1C 666781607 487337725 /nfs/dbraw/zinc/33/77/25/487337725.db2.gz YYVXNCIHKHZQPM-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)C1CCCCC1 666779473 487337735 /nfs/dbraw/zinc/33/77/35/487337735.db2.gz LWPXWBRFUCSQPV-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C)C1 666779033 487337749 /nfs/dbraw/zinc/33/77/49/487337749.db2.gz ZJHFXBCJCCIQNK-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C)C1 666779036 487337757 /nfs/dbraw/zinc/33/77/57/487337757.db2.gz ZJHFXBCJCCIQNK-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 666779030 487337767 /nfs/dbraw/zinc/33/77/67/487337767.db2.gz ZCPJUAZDXLPGDR-VXGBXAGGSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1C 666781610 487337775 /nfs/dbraw/zinc/33/77/75/487337775.db2.gz YYVXNCIHKHZQPM-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@@H]1C(C)C 666779496 487337818 /nfs/dbraw/zinc/33/78/18/487337818.db2.gz SKDLRKAHQIAIAW-MNOVXSKESA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCCC1(C)C 666781595 487337856 /nfs/dbraw/zinc/33/78/56/487337856.db2.gz XUKAULJHIBXPMY-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)C1CCC1 666782333 487337862 /nfs/dbraw/zinc/33/78/62/487337862.db2.gz OTHPIEDKPFDETH-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+]C[C@@H](C)CC(C)C 666779506 487337874 /nfs/dbraw/zinc/33/78/74/487337874.db2.gz WPDKPDUYWPKBJD-JTQLQIEISA-N 2 1 172.316 1.478 20 0 ADADMP CCCC[C@@H](CC)[NH2+]CC[NH2+]C 666779038 487337901 /nfs/dbraw/zinc/33/79/01/487337901.db2.gz ZJJHEKAJIBYVEQ-SNVBAGLBSA-N 2 1 172.316 1.764 20 0 ADADMP CCCC[C@H](CC)[NH2+]CC[NH2+]C 666779037 487337960 /nfs/dbraw/zinc/33/79/60/487337960.db2.gz ZJJHEKAJIBYVEQ-JTQLQIEISA-N 2 1 172.316 1.764 20 0 ADADMP C[NH2+]CC[NH2+]C[C@H](C)CC(C)C 666779507 487337982 /nfs/dbraw/zinc/33/79/82/487337982.db2.gz WPDKPDUYWPKBJD-SNVBAGLBSA-N 2 1 172.316 1.478 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)CC1CCC1 666782318 487337997 /nfs/dbraw/zinc/33/79/97/487337997.db2.gz KPWLYFRNGGDOIJ-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 666779028 487338005 /nfs/dbraw/zinc/33/80/05/487338005.db2.gz ZCPJUAZDXLPGDR-NWDGAFQWSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)C1CCC1 666782334 487338053 /nfs/dbraw/zinc/33/80/53/487338053.db2.gz OTHPIEDKPFDETH-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@H]1C(C)C 666779498 487338063 /nfs/dbraw/zinc/33/80/63/487338063.db2.gz SKDLRKAHQIAIAW-WDEREUQCSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)C1CCCCC1 666779472 487338177 /nfs/dbraw/zinc/33/81/77/487338177.db2.gz LWPXWBRFUCSQPV-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CCC[C@H](CC)[NH2+]CC[NH2+]CC 666782311 487338188 /nfs/dbraw/zinc/33/81/88/487338188.db2.gz JIPRBWYLDLSTBT-JTQLQIEISA-N 2 1 172.316 1.764 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@H](C)CC(C)C 666782352 487338230 /nfs/dbraw/zinc/33/82/30/487338230.db2.gz VYKYDJUCKQQTGN-LLVKDONJSA-N 2 1 186.343 1.868 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)CC1CC1 666782297 487338240 /nfs/dbraw/zinc/33/82/40/487338240.db2.gz GJIFVTHILFFHDU-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H]1C(C)C 666779497 487338259 /nfs/dbraw/zinc/33/82/59/487338259.db2.gz SKDLRKAHQIAIAW-QWRGUYRKSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 666779029 487338280 /nfs/dbraw/zinc/33/82/80/487338280.db2.gz ZCPJUAZDXLPGDR-RYUDHWBXSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1C(C)C 666779495 487338309 /nfs/dbraw/zinc/33/83/09/487338309.db2.gz SKDLRKAHQIAIAW-GHMZBOCLSA-N 2 1 184.327 1.620 20 0 ADADMP CCC[C@@H](CC)[NH2+]CC[NH2+]CC 666782312 487338350 /nfs/dbraw/zinc/33/83/50/487338350.db2.gz JIPRBWYLDLSTBT-SNVBAGLBSA-N 2 1 172.316 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)CC1CC1 666782298 487338390 /nfs/dbraw/zinc/33/83/90/487338390.db2.gz GJIFVTHILFFHDU-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+]C1CCSCC1 666781504 487338409 /nfs/dbraw/zinc/33/84/09/487338409.db2.gz JKEVTNOKRJTYIT-UHFFFAOYSA-N 2 1 188.340 1.081 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)CC1CCC1 666782317 487338470 /nfs/dbraw/zinc/33/84/70/487338470.db2.gz KPWLYFRNGGDOIJ-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1C 666781608 487338485 /nfs/dbraw/zinc/33/84/85/487338485.db2.gz YYVXNCIHKHZQPM-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C 666799255 487338882 /nfs/dbraw/zinc/33/88/82/487338882.db2.gz MXULMZXLNMPTPS-GHMZBOCLSA-N 2 1 186.343 1.996 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CC(C)C1 666799272 487338894 /nfs/dbraw/zinc/33/88/94/487338894.db2.gz RDAXDEDURXXOSS-ILDUYXDCSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H](C[NH3+])CC(C)C 666799259 487338904 /nfs/dbraw/zinc/33/89/04/487338904.db2.gz MXULMZXLNMPTPS-WDEREUQCSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H](C)C[NH2+][C@H](C[NH3+])CC(C)C 666799257 487339001 /nfs/dbraw/zinc/33/90/01/487339001.db2.gz MXULMZXLNMPTPS-MNOVXSKESA-N 2 1 186.343 1.996 20 0 ADADMP CC[NH2+]CC[NH2+]C[C@@H](C)CC(C)C 666782353 487339091 /nfs/dbraw/zinc/33/90/91/487339091.db2.gz VYKYDJUCKQQTGN-NSHDSACASA-N 2 1 186.343 1.868 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CC(C)C1 666799274 487339227 /nfs/dbraw/zinc/33/92/27/487339227.db2.gz RDAXDEDURXXOSS-VQXHTEKXSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H](C)C[NH2+][C@H](C[NH3+])CC(C)C 666799258 487339264 /nfs/dbraw/zinc/33/92/64/487339264.db2.gz MXULMZXLNMPTPS-QWRGUYRKSA-N 2 1 186.343 1.996 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1ccc(C)cn1 666807140 487339687 /nfs/dbraw/zinc/33/96/87/487339687.db2.gz HRUBPOUPLKCXEG-UHFFFAOYSA-N 2 1 193.294 1.089 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1cnccc1C 666808139 487340087 /nfs/dbraw/zinc/34/00/87/487340087.db2.gz WKLCUHHCPUYYOQ-UHFFFAOYSA-N 2 1 193.294 1.089 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+][C@@H]1CCC[NH2+]C1 666814513 487340341 /nfs/dbraw/zinc/34/03/41/487340341.db2.gz DUBDDDKJTFGZRN-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[NH2+]C1 666814516 487340376 /nfs/dbraw/zinc/34/03/76/487340376.db2.gz DUBDDDKJTFGZRN-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](CC1CCC1)[NH2+][C@H]1CCC[NH2+]C1 666814515 487340428 /nfs/dbraw/zinc/34/04/28/487340428.db2.gz DUBDDDKJTFGZRN-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+][C@H]1CCC[NH2+]C1 666814514 487340824 /nfs/dbraw/zinc/34/08/24/487340824.db2.gz DUBDDDKJTFGZRN-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 666836147 487342085 /nfs/dbraw/zinc/34/20/85/487342085.db2.gz QHFCGKCXVKEOFK-TUAOUCFPSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 666836138 487342143 /nfs/dbraw/zinc/34/21/43/487342143.db2.gz FGVVTVAUIJQNPT-DCAQKATOSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 666836141 487342243 /nfs/dbraw/zinc/34/22/43/487342243.db2.gz IPICRSWYINIDAS-SRVKXCTJSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 666836144 487342252 /nfs/dbraw/zinc/34/22/52/487342252.db2.gz MMEUMPASJWVVPJ-DCAQKATOSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 666836146 487342350 /nfs/dbraw/zinc/34/23/50/487342350.db2.gz QHFCGKCXVKEOFK-SRVKXCTJSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 666836139 487342358 /nfs/dbraw/zinc/34/23/58/487342358.db2.gz FGVVTVAUIJQNPT-GARJFASQSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 666836143 487342443 /nfs/dbraw/zinc/34/24/43/487342443.db2.gz MMEUMPASJWVVPJ-AXFHLTTASA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 666836140 487342490 /nfs/dbraw/zinc/34/24/90/487342490.db2.gz IPICRSWYINIDAS-SDDRHHMPSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C1 666867812 487342938 /nfs/dbraw/zinc/34/29/38/487342938.db2.gz HDVNRPDPEJILKK-YIZRAAEISA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C 666861426 487342990 /nfs/dbraw/zinc/34/29/90/487342990.db2.gz QJEMSXVBCIEDSO-DBIOUOCHSA-N 2 1 182.311 1.230 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC[C@@H](C)C1 666860613 487343018 /nfs/dbraw/zinc/34/30/18/487343018.db2.gz UAXIACZMNJXPBA-RHYQMDGZSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 666860607 487343120 /nfs/dbraw/zinc/34/31/20/487343120.db2.gz OVOOMROJBMYZQZ-WDEREUQCSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C/C=C/c1ccccc1 666866743 487343133 /nfs/dbraw/zinc/34/31/33/487343133.db2.gz BZOPHBAUJSLYSX-AYLMVEPYSA-N 2 1 190.290 1.637 20 0 ADADMP CC(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 666860606 487343143 /nfs/dbraw/zinc/34/31/43/487343143.db2.gz OVOOMROJBMYZQZ-QWRGUYRKSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 666860612 487343180 /nfs/dbraw/zinc/34/31/80/487343180.db2.gz UAXIACZMNJXPBA-NOOOWODRSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 666867782 487343188 /nfs/dbraw/zinc/34/31/88/487343188.db2.gz AUFJPWRXUJXKSI-AEJSXWLSSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 666860614 487343230 /nfs/dbraw/zinc/34/32/30/487343230.db2.gz UAXIACZMNJXPBA-WISYIIOYSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 666860604 487343250 /nfs/dbraw/zinc/34/32/50/487343250.db2.gz OVOOMROJBMYZQZ-GHMZBOCLSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C)[C@H]1C 666867789 487343300 /nfs/dbraw/zinc/34/33/00/487343300.db2.gz CIUSGMAPGBFAGF-DBIOUOCHSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C 666860605 487343332 /nfs/dbraw/zinc/34/33/32/487343332.db2.gz OVOOMROJBMYZQZ-MNOVXSKESA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C[C@H]1C 666861428 487343341 /nfs/dbraw/zinc/34/33/41/487343341.db2.gz QJEMSXVBCIEDSO-LNFKQOIKSA-N 2 1 182.311 1.230 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 666867783 487343363 /nfs/dbraw/zinc/34/33/63/487343363.db2.gz AUFJPWRXUJXKSI-IVZWLZJFSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 666861427 487343399 /nfs/dbraw/zinc/34/33/99/487343399.db2.gz QJEMSXVBCIEDSO-GWOFURMSSA-N 2 1 182.311 1.230 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C1 666867811 487343428 /nfs/dbraw/zinc/34/34/28/487343428.db2.gz HDVNRPDPEJILKK-DJLDLDEBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C[C@H]1C 666861429 487343461 /nfs/dbraw/zinc/34/34/61/487343461.db2.gz QJEMSXVBCIEDSO-ZDCRXTMVSA-N 2 1 182.311 1.230 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C/C=C\c1ccccc1 666866744 487343631 /nfs/dbraw/zinc/34/36/31/487343631.db2.gz BZOPHBAUJSLYSX-UIJKISKDSA-N 2 1 190.290 1.637 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 666860615 487343689 /nfs/dbraw/zinc/34/36/89/487343689.db2.gz UAXIACZMNJXPBA-WYUUTHIRSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)C[C@@H](C)C[NH2+][C@H](C)C[NH3+] 666868698 487343973 /nfs/dbraw/zinc/34/39/73/487343973.db2.gz UOUBSHVCXLSYFV-NXEZZACHSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C2CC2)C1 666867858 487343998 /nfs/dbraw/zinc/34/39/98/487343998.db2.gz PLUODSZLHZKQGS-USWWRNFRSA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 666868657 487344004 /nfs/dbraw/zinc/34/40/04/487344004.db2.gz KTORLCZPGGLWDK-MXWKQRLJSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CCC[C@H]([NH2+][C@H](C)C[NH3+])C1 666867834 487344017 /nfs/dbraw/zinc/34/40/17/487344017.db2.gz MYQMAOIWEKPQHD-VWYCJHECSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)C[C@H](C)C[NH2+][C@H](C)C[NH3+] 666868699 487343949 /nfs/dbraw/zinc/34/39/49/487343949.db2.gz UOUBSHVCXLSYFV-VHSXEESVSA-N 2 1 172.316 1.605 20 0 ADADMP CCCC[C@@H](CC)[NH2+][C@H](C)C[NH3+] 666867824 487343956 /nfs/dbraw/zinc/34/39/56/487343956.db2.gz JJXAUEPPCNHNPY-NXEZZACHSA-N 2 1 172.316 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 666867859 487343963 /nfs/dbraw/zinc/34/39/63/487343963.db2.gz PLUODSZLHZKQGS-YUSALJHKSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](CC1CCCC1)[NH2+][C@H](C)C[NH3+] 666867918 487344060 /nfs/dbraw/zinc/34/40/60/487344060.db2.gz ZLRNJFCXAZZCDB-VHSXEESVSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC1CCCC1 666867917 487344079 /nfs/dbraw/zinc/34/40/79/487344079.db2.gz ZLRNJFCXAZZCDB-NXEZZACHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]1CC([NH2+][C@H](C)C[NH3+])C[C@@H](C)C1 666867819 487344089 /nfs/dbraw/zinc/34/40/89/487344089.db2.gz JBWSRENDJGCQQW-LPEHRKFASA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C1CC1 666867828 487344120 /nfs/dbraw/zinc/34/41/20/487344120.db2.gz JZEIOMPARZGDLE-JLLWLGSASA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 666868658 487344151 /nfs/dbraw/zinc/34/41/51/487344151.db2.gz KTORLCZPGGLWDK-OUAUKWLOSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+][C@H](C)C[NH3+] 666868719 487344175 /nfs/dbraw/zinc/34/41/75/487344175.db2.gz ZWNTTZBVHNNEDE-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP CCCC[C@H](COC)[NH2+][C@H](C)C[NH3+] 666868662 487344195 /nfs/dbraw/zinc/34/41/95/487344195.db2.gz LHIWZEONPIPPQU-NXEZZACHSA-N 2 1 188.315 1.128 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC1CCC1 666868720 487344202 /nfs/dbraw/zinc/34/42/02/487344202.db2.gz ZWNTTZBVHNNEDE-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C1CC1 666867827 487344297 /nfs/dbraw/zinc/34/42/97/487344297.db2.gz JZEIOMPARZGDLE-ADEWGFFLSA-N 2 1 196.338 1.892 20 0 ADADMP CCCC[C@@H](COC)[NH2+][C@H](C)C[NH3+] 666868663 487344318 /nfs/dbraw/zinc/34/43/18/487344318.db2.gz LHIWZEONPIPPQU-ZJUUUORDSA-N 2 1 188.315 1.128 20 0 ADADMP CC[C@H]1CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1 666867833 487344372 /nfs/dbraw/zinc/34/43/72/487344372.db2.gz MYQMAOIWEKPQHD-OUAUKWLOSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@H](CC)[NH2+][C@H](C)C[NH3+] 666867825 487344386 /nfs/dbraw/zinc/34/43/86/487344386.db2.gz JJXAUEPPCNHNPY-ZJUUUORDSA-N 2 1 172.316 1.892 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])[C@H](C)C1 666867831 487344395 /nfs/dbraw/zinc/34/43/95/487344395.db2.gz LAYBGZFFPAPBLX-GWOFURMSSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C2CC2)C1 666867857 487344453 /nfs/dbraw/zinc/34/44/53/487344453.db2.gz PLUODSZLHZKQGS-JLLWLGSASA-N 2 1 196.338 1.892 20 0 ADADMP CCCC(CCC)[NH2+][C@H](C)C[NH3+] 666867881 487344461 /nfs/dbraw/zinc/34/44/61/487344461.db2.gz RSZPPJYTZKTONF-SECBINFHSA-N 2 1 172.316 1.892 20 0 ADADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 666868659 487344519 /nfs/dbraw/zinc/34/45/19/487344519.db2.gz KTORLCZPGGLWDK-VWYCJHECSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C1CC1 666867829 487344556 /nfs/dbraw/zinc/34/45/56/487344556.db2.gz JZEIOMPARZGDLE-USWWRNFRSA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)[C@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 666868656 487344602 /nfs/dbraw/zinc/34/46/02/487344602.db2.gz KTORLCZPGGLWDK-GMTAPVOTSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 666868717 487344632 /nfs/dbraw/zinc/34/46/32/487344632.db2.gz ZKANSHMXNULVES-DBIOUOCHSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C1CC1 666867830 487344640 /nfs/dbraw/zinc/34/46/40/487344640.db2.gz JZEIOMPARZGDLE-YUSALJHKSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C2CC2)C1 666867856 487344667 /nfs/dbraw/zinc/34/46/67/487344667.db2.gz PLUODSZLHZKQGS-ADEWGFFLSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1 666909255 487347987 /nfs/dbraw/zinc/34/79/87/487347987.db2.gz CVMWWVRVMLLVLK-NSHDSACASA-N 2 1 196.269 1.653 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1 666909254 487348187 /nfs/dbraw/zinc/34/81/87/487348187.db2.gz CVMWWVRVMLLVLK-LLVKDONJSA-N 2 1 196.269 1.653 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1cccc(C)c1 666909297 487348199 /nfs/dbraw/zinc/34/81/99/487348199.db2.gz ZVRGZOIRPOTLBL-LBPRGKRZSA-N 2 1 192.306 1.822 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C)c1 666909296 487348263 /nfs/dbraw/zinc/34/82/63/487348263.db2.gz ZVRGZOIRPOTLBL-GFCCVEGCSA-N 2 1 192.306 1.822 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1C 666909264 487348301 /nfs/dbraw/zinc/34/83/01/487348301.db2.gz HSYGLYZVBMQUAQ-GFCCVEGCSA-N 2 1 192.306 1.822 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1C 666909265 487348602 /nfs/dbraw/zinc/34/86/02/487348602.db2.gz HSYGLYZVBMQUAQ-LBPRGKRZSA-N 2 1 192.306 1.822 20 0 ADADMP CC1CC([NH2+][C@H](C[NH3+])C2CCCC2)C1 666971524 487352267 /nfs/dbraw/zinc/35/22/67/487352267.db2.gz OPHCPZONPJLCEF-QEWOUOOISA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)CC[NH2+][C@@H](C[NH3+])C(C)(C)C 666981149 487352047 /nfs/dbraw/zinc/35/20/47/487352047.db2.gz KOYIDULCJDVPAJ-JTQLQIEISA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C 666981161 487352054 /nfs/dbraw/zinc/35/20/54/487352054.db2.gz OLMTWUSLMFJXMZ-UWVGGRQHSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C 666981162 487352078 /nfs/dbraw/zinc/35/20/78/487352078.db2.gz OLMTWUSLMFJXMZ-VHSXEESVSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H](C)C[NH2+][C@H](C[NH3+])C(C)(C)C 666981160 487352396 /nfs/dbraw/zinc/35/23/96/487352396.db2.gz OLMTWUSLMFJXMZ-NXEZZACHSA-N 2 1 186.343 1.996 20 0 ADADMP CC(C)CC[NH2+][C@H](C[NH3+])C(C)(C)C 666981150 487352559 /nfs/dbraw/zinc/35/25/59/487352559.db2.gz KOYIDULCJDVPAJ-SNVBAGLBSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H](C[NH3+])C(C)(C)C 666981163 487352597 /nfs/dbraw/zinc/35/25/97/487352597.db2.gz OLMTWUSLMFJXMZ-ZJUUUORDSA-N 2 1 186.343 1.996 20 0 ADADMP CC1CC([NH2+][C@@H](C[NH3+])C2CCCC2)C1 666971523 487352685 /nfs/dbraw/zinc/35/26/85/487352685.db2.gz OPHCPZONPJLCEF-NHNAUAITSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 667040092 487353092 /nfs/dbraw/zinc/35/30/92/487353092.db2.gz IAIWLFIVPOLYMZ-RHYQMDGZSA-N 2 1 196.338 1.559 20 0 ADADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@@H]1C[NH3+] 667040094 487353109 /nfs/dbraw/zinc/35/31/09/487353109.db2.gz IAIWLFIVPOLYMZ-WYUUTHIRSA-N 2 1 196.338 1.559 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1C[NH3+] 667040064 487353202 /nfs/dbraw/zinc/35/32/02/487353202.db2.gz ZGFVAZAWQCUVCG-GHMZBOCLSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1C[NH3+] 667040065 487353239 /nfs/dbraw/zinc/35/32/39/487353239.db2.gz ZGFVAZAWQCUVCG-MNOVXSKESA-N 2 1 196.338 1.703 20 0 ADADMP C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1C[NH3+] 667040067 487353281 /nfs/dbraw/zinc/35/32/81/487353281.db2.gz ZGFVAZAWQCUVCG-WDEREUQCSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 667040091 487353430 /nfs/dbraw/zinc/35/34/30/487353430.db2.gz IAIWLFIVPOLYMZ-NOOOWODRSA-N 2 1 196.338 1.559 20 0 ADADMP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1C[NH3+] 667040093 487353457 /nfs/dbraw/zinc/35/34/57/487353457.db2.gz IAIWLFIVPOLYMZ-WISYIIOYSA-N 2 1 196.338 1.559 20 0 ADADMP C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1C[NH3+] 667040066 487353561 /nfs/dbraw/zinc/35/35/61/487353561.db2.gz ZGFVAZAWQCUVCG-QWRGUYRKSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 667066788 487354055 /nfs/dbraw/zinc/35/40/55/487354055.db2.gz MSQIVGFWYUWTKW-LNFKQOIKSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 667066787 487354066 /nfs/dbraw/zinc/35/40/66/487354066.db2.gz MSQIVGFWYUWTKW-CHWFTXMASA-N 2 1 182.311 1.373 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@H](C2CCC2)C1 667060700 487354324 /nfs/dbraw/zinc/35/43/24/487354324.db2.gz DITVWNJURUDFTL-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 667066776 487354341 /nfs/dbraw/zinc/35/43/41/487354341.db2.gz IZQFVIGOPKMUAL-GMTAPVOTSA-N 2 1 184.327 1.763 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@@H](C2CCC2)C1 667060699 487354381 /nfs/dbraw/zinc/35/43/81/487354381.db2.gz DITVWNJURUDFTL-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP C[C@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 667066789 487354398 /nfs/dbraw/zinc/35/43/98/487354398.db2.gz MSQIVGFWYUWTKW-ZRUFSTJUSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCC1 667066875 487354459 /nfs/dbraw/zinc/35/44/59/487354459.db2.gz NXHGDGFBIKANQL-CKYFFXLPSA-N 2 1 196.338 1.905 20 0 ADADMP CCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 757125033 582457898 /nfs/dbraw/zinc/45/78/98/582457898.db2.gz CQTVFGPDCCCEDV-NSHDSACASA-N 2 1 182.311 1.614 20 0 ADADMP CCCC[N@H+]1CCC[C@]12CC[NH2+]C2 757124999 582458032 /nfs/dbraw/zinc/45/80/32/582458032.db2.gz CQTVFGPDCCCEDV-LLVKDONJSA-N 2 1 182.311 1.614 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 892020619 582480296 /nfs/dbraw/zinc/48/02/96/582480296.db2.gz ZRRPXRPWZDWZSQ-LLVKDONJSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CCC[N@H+]1CC1CC[NH+](C)CC1 892020620 582480325 /nfs/dbraw/zinc/48/03/25/582480325.db2.gz ZRRPXRPWZDWZSQ-NSHDSACASA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]2C)CC[N@H+]1C 222788739 582488289 /nfs/dbraw/zinc/48/82/89/582488289.db2.gz LZTXOVYKUJRFLF-WRWGMCAJSA-N 2 1 196.338 1.715 20 0 ADADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C 393677729 582490868 /nfs/dbraw/zinc/49/08/68/582490868.db2.gz JALFFARWJNMTJM-GRYCIOLGSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@H]1C 393677729 582490871 /nfs/dbraw/zinc/49/08/71/582490871.db2.gz JALFFARWJNMTJM-GRYCIOLGSA-N 2 1 198.354 1.961 20 0 ADADMP CC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 393712408 582494365 /nfs/dbraw/zinc/49/43/65/582494365.db2.gz UTTCZMKMBHGTRJ-JTQLQIEISA-N 2 1 182.311 1.636 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H]1C 42409129 582501974 /nfs/dbraw/zinc/50/19/74/582501974.db2.gz XZENLSOBCOTUCW-SECBINFHSA-N 2 1 156.273 1.080 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CCC[NH2+]C 42409121 582501676 /nfs/dbraw/zinc/50/16/76/582501676.db2.gz RMEHIACRFFUMGF-SNVBAGLBSA-N 2 1 170.300 1.470 20 0 ADADMP CC[C@H]1CCC[N@H+]1CCC[NH2+]C 42409122 582502008 /nfs/dbraw/zinc/50/20/08/582502008.db2.gz RMEHIACRFFUMGF-JTQLQIEISA-N 2 1 170.300 1.470 20 0 ADADMP CCC1(C[NH2+]C2CC[NH+](C)CC2)CC1 227609762 582502683 /nfs/dbraw/zinc/50/26/83/582502683.db2.gz VQTLSUGQXHSVPC-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 228987021 582514330 /nfs/dbraw/zinc/51/43/30/582514330.db2.gz WHBLCWGRSDQDBK-QWRGUYRKSA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 228986133 582514375 /nfs/dbraw/zinc/51/43/75/582514375.db2.gz LJDQWZMIEKBGJN-TUAOUCFPSA-N 2 1 198.354 1.949 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CCC1 307170667 582514592 /nfs/dbraw/zinc/51/45/92/582514592.db2.gz NXHGDGFBIKANQL-HOSYDEDBSA-N 2 1 196.338 1.905 20 0 ADADMP CC[N@H+]1CCCC12CC[NH2+]CC2 211347137 582514980 /nfs/dbraw/zinc/51/49/80/582514980.db2.gz VFWYAALEPCKMQT-UHFFFAOYSA-N 2 1 168.284 1.224 20 0 ADADMP CC(C)C[N@H+]1CCC[C@@]12CCC[NH2+]C2 211348371 582515074 /nfs/dbraw/zinc/51/50/74/582515074.db2.gz BSJQWTDGCNMZFF-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 211345372 582515128 /nfs/dbraw/zinc/51/51/28/582515128.db2.gz AEJYBNCZOFBOJB-SNVBAGLBSA-N 2 1 168.284 1.224 20 0 ADADMP CCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 211345372 582515129 /nfs/dbraw/zinc/51/51/29/582515129.db2.gz AEJYBNCZOFBOJB-SNVBAGLBSA-N 2 1 168.284 1.224 20 0 ADADMP CCC[N@H+]1CCC[C@@]12CC[NH2+]C2 211345226 582515131 /nfs/dbraw/zinc/51/51/31/582515131.db2.gz INZIUMDUAVNAOT-JTQLQIEISA-N 2 1 168.284 1.224 20 0 ADADMP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@@H]1[NH3+] 211317780 582515149 /nfs/dbraw/zinc/51/51/49/582515149.db2.gz QGKSGULOIJCEQY-SJLHTBIVSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@@H]1[NH3+] 211317780 582515150 /nfs/dbraw/zinc/51/51/50/582515150.db2.gz QGKSGULOIJCEQY-SJLHTBIVSA-N 2 1 188.702 1.408 20 0 ADADMP CC(C)C[N@H+]1CCC[C@]12CCC[NH2+]C2 211348442 582515161 /nfs/dbraw/zinc/51/51/61/582515161.db2.gz BSJQWTDGCNMZFF-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 211346620 582515395 /nfs/dbraw/zinc/51/53/95/582515395.db2.gz SIUJTVWHYJJTBL-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 211346620 582515397 /nfs/dbraw/zinc/51/53/97/582515397.db2.gz SIUJTVWHYJJTBL-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@H]1C[N@H+](CCF)CC[C@@H]1[NH3+] 147510902 582522476 /nfs/dbraw/zinc/52/24/76/582522476.db2.gz ATVKCABHTSIWIF-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP CC[C@H]1C[N@@H+](CCF)CC[C@@H]1[NH3+] 147510902 582522480 /nfs/dbraw/zinc/52/24/80/582522480.db2.gz ATVKCABHTSIWIF-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[NH+]1CCC(C[N@@H+]2C[C@H]3C[C@H]3C2)CC1 895559303 582529097 /nfs/dbraw/zinc/52/90/97/582529097.db2.gz OMQSFWYMQXCLOX-TXEJJXNPSA-N 2 1 194.322 1.280 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CCC[NH2+]C1 238480809 582551783 /nfs/dbraw/zinc/55/17/83/582551783.db2.gz MGTLIXFJRUPRPM-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C 841067166 582553480 /nfs/dbraw/zinc/55/34/80/582553480.db2.gz WGCCOLLBKPQBQI-UTLUCORTSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C 841067165 582553593 /nfs/dbraw/zinc/55/35/93/582553593.db2.gz WGCCOLLBKPQBQI-KXUCPTDWSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CCCF)CC[N@H+]1C 158863826 582579233 /nfs/dbraw/zinc/57/92/33/582579233.db2.gz WMZWLTSELCIOOY-NXEZZACHSA-N 2 1 188.290 1.418 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)[C@H](C)C1 902405570 582598971 /nfs/dbraw/zinc/59/89/71/582598971.db2.gz IYDUXSBPPPYWQK-GMTAPVOTSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC1([NH3+])CC1 902405576 582599209 /nfs/dbraw/zinc/59/92/09/582599209.db2.gz IYDUXSBPPPYWQK-VWYCJHECSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CC1([NH3+])CC1 902405574 582599274 /nfs/dbraw/zinc/59/92/74/582599274.db2.gz IYDUXSBPPPYWQK-OUAUKWLOSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+]CC1([NH3+])CC1 902406081 582599319 /nfs/dbraw/zinc/59/93/19/582599319.db2.gz KYFDXGAVGHVHJL-DTWKUNHWSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)[C@H](C)C1 902405572 582599345 /nfs/dbraw/zinc/59/93/45/582599345.db2.gz IYDUXSBPPPYWQK-MXWKQRLJSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+]CC1([NH3+])CC1 902406082 582599576 /nfs/dbraw/zinc/59/95/76/582599576.db2.gz KYFDXGAVGHVHJL-IUCAKERBSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]CC1([NH3+])CC1 902406080 582599717 /nfs/dbraw/zinc/59/97/17/582599717.db2.gz KYFDXGAVGHVHJL-BDAKNGLRSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]CC1([NH3+])CC1 902406083 582599917 /nfs/dbraw/zinc/59/99/17/582599917.db2.gz KYFDXGAVGHVHJL-RKDXNWHRSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)C1CCC1 902408640 582600232 /nfs/dbraw/zinc/60/02/32/582600232.db2.gz ZWKSDJRQASSPLM-SNVBAGLBSA-N 2 1 182.311 1.646 20 0 ADADMP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902406502 582600433 /nfs/dbraw/zinc/60/04/33/582600433.db2.gz NBVOKWKTWIJJOF-SECBINFHSA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)C1CCC1 902408638 582600448 /nfs/dbraw/zinc/60/04/48/582600448.db2.gz ZWKSDJRQASSPLM-JTQLQIEISA-N 2 1 182.311 1.646 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902416200 582603767 /nfs/dbraw/zinc/60/37/67/582603767.db2.gz UJYBNQLNLATXOT-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP CCC(C)(C)[C@H](C)[NH2+]CC1([NH3+])CC1 902406503 582600710 /nfs/dbraw/zinc/60/07/10/582600710.db2.gz NBVOKWKTWIJJOF-VIFPVBQESA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902416197 582603213 /nfs/dbraw/zinc/60/32/13/582603213.db2.gz UJYBNQLNLATXOT-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CC1 902416199 582603346 /nfs/dbraw/zinc/60/33/46/582603346.db2.gz UJYBNQLNLATXOT-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP CC1CCC([NH2+]CC2([NH3+])CC2)CC1 902415388 582603377 /nfs/dbraw/zinc/60/33/77/582603377.db2.gz NAYNTPSYZIQSJY-UHFFFAOYSA-N 2 1 182.311 1.646 20 0 ADADMP CC1(C)CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902415348 582603507 /nfs/dbraw/zinc/60/35/07/582603507.db2.gz DZNKOQXIYAZWEZ-VIFPVBQESA-N 2 1 182.311 1.646 20 0 ADADMP CCC[C@@H](C)[NH2+]CC1([NH3+])CC1 902415541 582603566 /nfs/dbraw/zinc/60/35/66/582603566.db2.gz IEDWTIUQKRGCEG-MRVPVSSYSA-N 2 1 156.273 1.256 20 0 ADADMP [NH3+]C1(C[NH2+][C@@H]2CCC23CCC3)CC1 902404081 582603630 /nfs/dbraw/zinc/60/36/30/582603630.db2.gz CBWYWXKXNYSYPZ-SECBINFHSA-N 2 1 180.295 1.400 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@@H]1C[C@H]1C 902403688 582603647 /nfs/dbraw/zinc/60/36/47/582603647.db2.gz AMRSFFPGFSMDBY-BBBLOLIVSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@@H]1C[C@@H]1C 902403685 582603664 /nfs/dbraw/zinc/60/36/64/582603664.db2.gz AMRSFFPGFSMDBY-AEJSXWLSSA-N 2 1 182.311 1.502 20 0 ADADMP CCC[C@H](C)[NH2+]CC1([NH3+])CC1 902415542 582603691 /nfs/dbraw/zinc/60/36/91/582603691.db2.gz IEDWTIUQKRGCEG-QMMMGPOBSA-N 2 1 156.273 1.256 20 0 ADADMP CC(C)[C@H](C)[NH2+]CC1([NH3+])CC1 902415279 582603697 /nfs/dbraw/zinc/60/36/97/582603697.db2.gz MZDRVGYBDHILCJ-QMMMGPOBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]([NH2+]CC1([NH3+])CC1)C(C)(C)C 902417531 582603765 /nfs/dbraw/zinc/60/37/65/582603765.db2.gz SEIGLKWQKHVQHK-QMMMGPOBSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]([NH2+]CC1([NH3+])CC1)C(C)(C)C 902417530 582603769 /nfs/dbraw/zinc/60/37/69/582603769.db2.gz SEIGLKWQKHVQHK-MRVPVSSYSA-N 2 1 170.300 1.502 20 0 ADADMP CC(C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902415278 582603781 /nfs/dbraw/zinc/60/37/81/582603781.db2.gz MZDRVGYBDHILCJ-MRVPVSSYSA-N 2 1 156.273 1.112 20 0 ADADMP CC1(C)CCC[C@H]1[NH2+]CC1([NH3+])CC1 902415347 582603794 /nfs/dbraw/zinc/60/37/94/582603794.db2.gz DZNKOQXIYAZWEZ-SECBINFHSA-N 2 1 182.311 1.646 20 0 ADADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)C(C)C 902415215 582603803 /nfs/dbraw/zinc/60/38/03/582603803.db2.gz LJULPXKVCWEBEB-SECBINFHSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@H]1C[C@H]1C 902403692 582603813 /nfs/dbraw/zinc/60/38/13/582603813.db2.gz AMRSFFPGFSMDBY-UTLUCORTSA-N 2 1 182.311 1.502 20 0 ADADMP COC1CCC([NH2+]CC2([NH3+])CC2)CC1 902404891 582603825 /nfs/dbraw/zinc/60/38/25/582603825.db2.gz GRPDWWVBOSRXRZ-UHFFFAOYSA-N 2 1 198.310 1.025 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)C(C)C 902415216 582603979 /nfs/dbraw/zinc/60/39/79/582603979.db2.gz LJULPXKVCWEBEB-VIFPVBQESA-N 2 1 170.300 1.502 20 0 ADADMP [NH3+]C1(C[NH2+][C@H]2CCC23CCC3)CC1 902404082 582603993 /nfs/dbraw/zinc/60/39/93/582603993.db2.gz CBWYWXKXNYSYPZ-VIFPVBQESA-N 2 1 180.295 1.400 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)[C@H]1C[C@@H]1C 902403690 582604003 /nfs/dbraw/zinc/60/40/03/582604003.db2.gz AMRSFFPGFSMDBY-GUBZILKMSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 902415376 582604013 /nfs/dbraw/zinc/60/40/13/582604013.db2.gz FYQHQHUWHZYTTB-SECBINFHSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 902415377 582604046 /nfs/dbraw/zinc/60/40/46/582604046.db2.gz FYQHQHUWHZYTTB-VIFPVBQESA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC1 902416198 582604049 /nfs/dbraw/zinc/60/40/49/582604049.db2.gz UJYBNQLNLATXOT-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902418569 582604323 /nfs/dbraw/zinc/60/43/23/582604323.db2.gz WRABGECLKBVPMU-BDAKNGLRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902418572 582604456 /nfs/dbraw/zinc/60/44/56/582604456.db2.gz WRABGECLKBVPMU-IUCAKERBSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902418571 582604460 /nfs/dbraw/zinc/60/44/60/582604460.db2.gz WRABGECLKBVPMU-DTWKUNHWSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902418574 582604471 /nfs/dbraw/zinc/60/44/71/582604471.db2.gz WRABGECLKBVPMU-RKDXNWHRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H](CC1CC1)[NH2+]CC1([NH3+])CC1 902418724 582604539 /nfs/dbraw/zinc/60/45/39/582604539.db2.gz YYABXHWUTFREGY-MRVPVSSYSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@@H](CC1CC1)[NH2+]CC1([NH3+])CC1 902418725 582604570 /nfs/dbraw/zinc/60/45/70/582604570.db2.gz YYABXHWUTFREGY-QMMMGPOBSA-N 2 1 168.284 1.256 20 0 ADADMP CC(C)C[C@H](C)[NH2+]CC1([NH3+])CC1 902414504 582604970 /nfs/dbraw/zinc/60/49/70/582604970.db2.gz CAEBLXNJMHBFBQ-VIFPVBQESA-N 2 1 170.300 1.502 20 0 ADADMP CCC[C@H](CC)[NH2+]CC1([NH3+])CC1 902413458 582605001 /nfs/dbraw/zinc/60/50/01/582605001.db2.gz LVIMTHLKCGFHBV-VIFPVBQESA-N 2 1 170.300 1.646 20 0 ADADMP CCC[C@@H](CC)[NH2+]CC1([NH3+])CC1 902413457 582605007 /nfs/dbraw/zinc/60/50/07/582605007.db2.gz LVIMTHLKCGFHBV-SECBINFHSA-N 2 1 170.300 1.646 20 0 ADADMP CC(C)CC[C@@H](C)[NH2+]CC1([NH3+])CC1 902414970 582605016 /nfs/dbraw/zinc/60/50/16/582605016.db2.gz IOKGRHUUWAHYAQ-SNVBAGLBSA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902413899 582605104 /nfs/dbraw/zinc/60/51/04/582605104.db2.gz PKDLLIVGFCOVTE-NXEZZACHSA-N 2 1 182.311 1.646 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH3+])CC1 902413901 582605160 /nfs/dbraw/zinc/60/51/60/582605160.db2.gz PKDLLIVGFCOVTE-VHSXEESVSA-N 2 1 182.311 1.646 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902413900 582605255 /nfs/dbraw/zinc/60/52/55/582605255.db2.gz PKDLLIVGFCOVTE-UWVGGRQHSA-N 2 1 182.311 1.646 20 0 ADADMP CC(C)[C@H]([NH2+]CC1([NH3+])CC1)C1CC1 902413270 582605297 /nfs/dbraw/zinc/60/52/97/582605297.db2.gz JPVBJEOJGWMBBR-JTQLQIEISA-N 2 1 182.311 1.502 20 0 ADADMP CC(C)CC[C@H](C)[NH2+]CC1([NH3+])CC1 902414969 582605475 /nfs/dbraw/zinc/60/54/75/582605475.db2.gz IOKGRHUUWAHYAQ-JTQLQIEISA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH3+])CC1 902413902 582605565 /nfs/dbraw/zinc/60/55/65/582605565.db2.gz PKDLLIVGFCOVTE-ZJUUUORDSA-N 2 1 182.311 1.646 20 0 ADADMP CC(C)[C@@H]([NH2+]CC1([NH3+])CC1)C1CC1 902413272 582605589 /nfs/dbraw/zinc/60/55/89/582605589.db2.gz JPVBJEOJGWMBBR-SNVBAGLBSA-N 2 1 182.311 1.502 20 0 ADADMP CC(C)C[C@@H](C)[NH2+]CC1([NH3+])CC1 902414503 582605616 /nfs/dbraw/zinc/60/56/16/582605616.db2.gz CAEBLXNJMHBFBQ-SECBINFHSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccs1 902415193 582606752 /nfs/dbraw/zinc/60/67/52/582606752.db2.gz LBLZCYPJEPTRGB-MRVPVSSYSA-N 2 1 196.319 1.890 20 0 ADADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccs1 902415194 582606872 /nfs/dbraw/zinc/60/68/72/582606872.db2.gz LBLZCYPJEPTRGB-QMMMGPOBSA-N 2 1 196.319 1.890 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C1CC1 903427538 582623782 /nfs/dbraw/zinc/62/37/82/582623782.db2.gz XQQFFUOMJTWOHC-JFGNBEQYSA-N 2 1 196.338 1.750 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@](C)(C[NH3+])C1CC1 903427541 582624009 /nfs/dbraw/zinc/62/40/09/582624009.db2.gz XQQFFUOMJTWOHC-SCVCMEIPSA-N 2 1 196.338 1.750 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC2CC1(C)C2 903464531 582624435 /nfs/dbraw/zinc/62/44/35/582624435.db2.gz QYCRFVMULHJJKC-ZYGVAYEYSA-N 2 1 194.322 1.326 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 903751074 582627601 /nfs/dbraw/zinc/62/76/01/582627601.db2.gz DTMNXHCGCXXMIL-HCWSGVFWSA-N 2 1 194.322 1.326 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 903751074 582627602 /nfs/dbraw/zinc/62/76/02/582627602.db2.gz DTMNXHCGCXXMIL-HCWSGVFWSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H](C[NH3+])C(C)(C)C 903455167 582625369 /nfs/dbraw/zinc/62/53/69/582625369.db2.gz SCWHGSKOXJELQX-VWYCJHECSA-N 2 1 198.354 1.996 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H](C[NH3+])C(C)(C)C 903455166 582625784 /nfs/dbraw/zinc/62/57/84/582625784.db2.gz SCWHGSKOXJELQX-OUAUKWLOSA-N 2 1 198.354 1.996 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC(C)C1 903717605 582627039 /nfs/dbraw/zinc/62/70/39/582627039.db2.gz SVXFVKRMOFURRG-MCIGGMRASA-N 2 1 196.338 1.716 20 0 ADADMP CC[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 903814214 582627095 /nfs/dbraw/zinc/62/70/95/582627095.db2.gz LRWVOWKDACXTOU-LLVKDONJSA-N 2 1 196.338 1.990 20 0 ADADMP C[C@]12C[N@H+](CC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 903826533 582627127 /nfs/dbraw/zinc/62/71/27/582627127.db2.gz LJDGAVNYUMHJNH-WHOHXGKFSA-N 2 1 192.306 1.089 20 0 ADADMP C[C@]12C[N@@H+](CC[NH3+])C[C@H]1[C@H]1C=C[C@@H]2C1 903826533 582627129 /nfs/dbraw/zinc/62/71/29/582627129.db2.gz LJDGAVNYUMHJNH-WHOHXGKFSA-N 2 1 192.306 1.089 20 0 ADADMP CC1CC(C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 903716653 582627218 /nfs/dbraw/zinc/62/72/18/582627218.db2.gz AVGFDJIBEOERBN-CBINBANVSA-N 2 1 196.338 1.750 20 0 ADADMP C[C@]12C[N@H+](CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 903826352 582627337 /nfs/dbraw/zinc/62/73/37/582627337.db2.gz JCGFRDQJUPUYIM-WHOHXGKFSA-N 2 1 194.322 1.313 20 0 ADADMP C[C@]12C[N@@H+](CC[NH3+])C[C@H]1[C@H]1CC[C@@H]2C1 903826352 582627340 /nfs/dbraw/zinc/62/73/40/582627340.db2.gz JCGFRDQJUPUYIM-WHOHXGKFSA-N 2 1 194.322 1.313 20 0 ADADMP CC1CC(C[NH2+][C@H](C[NH3+])C(C)(C)C)C1 903751178 582627408 /nfs/dbraw/zinc/62/74/08/582627408.db2.gz CDDUTMJIEJKVDU-VQXHTEKXSA-N 2 1 198.354 1.996 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H](CC[NH3+])C2)C1 903788130 582627440 /nfs/dbraw/zinc/62/74/40/582627440.db2.gz CKCITGLAAWCLJP-MOENNCHZSA-N 2 1 196.338 1.703 20 0 ADADMP CC1CC(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 903746659 582627513 /nfs/dbraw/zinc/62/75/13/582627513.db2.gz JUWHIYLVLGITDV-CAODYFQJSA-N 2 1 194.322 1.184 20 0 ADADMP CC1CC(C[NH2+][C@](C)(C[NH3+])C2CC2)C1 903716654 582627605 /nfs/dbraw/zinc/62/76/05/582627605.db2.gz AVGFDJIBEOERBN-RTYFJBAXSA-N 2 1 196.338 1.750 20 0 ADADMP CC[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 903814216 582627608 /nfs/dbraw/zinc/62/76/08/582627608.db2.gz LRWVOWKDACXTOU-NSHDSACASA-N 2 1 196.338 1.990 20 0 ADADMP CC1CC(C[N@H+]2CC[C@H](CC[NH3+])C2)C1 903788129 582627627 /nfs/dbraw/zinc/62/76/27/582627627.db2.gz CKCITGLAAWCLJP-CXQJBGSLSA-N 2 1 196.338 1.703 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC(C)C1 903717604 582627681 /nfs/dbraw/zinc/62/76/81/582627681.db2.gz SVXFVKRMOFURRG-HTAVTVPLSA-N 2 1 196.338 1.716 20 0 ADADMP CC1CC(C[NH2+][C@@H](C[NH3+])C(C)(C)C)C1 903751177 582627725 /nfs/dbraw/zinc/62/77/25/582627725.db2.gz CDDUTMJIEJKVDU-ILDUYXDCSA-N 2 1 198.354 1.996 20 0 ADADMP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CC1CCC1 903858820 582627994 /nfs/dbraw/zinc/62/79/94/582627994.db2.gz ZZHJPRASNNLKCW-RYUDHWBXSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CC1CCC1 903858820 582627996 /nfs/dbraw/zinc/62/79/96/582627996.db2.gz ZZHJPRASNNLKCW-RYUDHWBXSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CC1CCC1 903858821 582628978 /nfs/dbraw/zinc/62/89/78/582628978.db2.gz ZZHJPRASNNLKCW-VXGBXAGGSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CC1CCC1 903858821 582628979 /nfs/dbraw/zinc/62/89/79/582628979.db2.gz ZZHJPRASNNLKCW-VXGBXAGGSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CC1CCC1 903858818 582629199 /nfs/dbraw/zinc/62/91/99/582629199.db2.gz ZZHJPRASNNLKCW-NEPJUHHUSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CC1CCC1 903858818 582629202 /nfs/dbraw/zinc/62/92/02/582629202.db2.gz ZZHJPRASNNLKCW-NEPJUHHUSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CC1CCC1 903858819 582629211 /nfs/dbraw/zinc/62/92/11/582629211.db2.gz ZZHJPRASNNLKCW-NWDGAFQWSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CC1CCC1 903858819 582629214 /nfs/dbraw/zinc/62/92/14/582629214.db2.gz ZZHJPRASNNLKCW-NWDGAFQWSA-N 2 1 194.322 1.600 20 0 ADADMP C[N@@H+](C[C@@H]1CC1(C)C)C[C@H]1C[C@@H]([NH3+])C1 904379172 582637124 /nfs/dbraw/zinc/63/71/24/582637124.db2.gz QKNGSPOUWZVVKZ-GARJFASQSA-N 2 1 196.338 1.702 20 0 ADADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@H]1C[C@@H]([NH3+])C1 904379174 582637126 /nfs/dbraw/zinc/63/71/26/582637126.db2.gz QKNGSPOUWZVVKZ-MXWKQRLJSA-N 2 1 196.338 1.702 20 0 ADADMP CC(C)C[C@@H](C)C[NH2+]CC1([NH3+])CC1 904444226 582637870 /nfs/dbraw/zinc/63/78/70/582637870.db2.gz OMIUQVNWFNGGQL-SNVBAGLBSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]([NH2+]CC1([NH3+])CC1)C1CCC1 904444155 582638176 /nfs/dbraw/zinc/63/81/76/582638176.db2.gz NZMOZXHJRARYEU-MRVPVSSYSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H]([NH2+]CC1([NH3+])CC1)C1CCC1 904444160 582638609 /nfs/dbraw/zinc/63/86/09/582638609.db2.gz NZMOZXHJRARYEU-QMMMGPOBSA-N 2 1 168.284 1.256 20 0 ADADMP CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 904420171 582638729 /nfs/dbraw/zinc/63/87/29/582638729.db2.gz FJZRDFAADWCOBH-WDEREUQCSA-N 2 1 194.322 1.328 20 0 ADADMP CC(C)C[C@H](C)C[NH2+]CC1([NH3+])CC1 904444217 582638742 /nfs/dbraw/zinc/63/87/42/582638742.db2.gz OMIUQVNWFNGGQL-JTQLQIEISA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 228987011 582670141 /nfs/dbraw/zinc/67/01/41/582670141.db2.gz WHBLCWGRSDQDBK-MNOVXSKESA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 393712409 582675946 /nfs/dbraw/zinc/67/59/46/582675946.db2.gz UTTCZMKMBHGTRJ-SNVBAGLBSA-N 2 1 182.311 1.636 20 0 ADADMP CC(C)[N@@H+](C)CC1CC[NH+](C)CC1 200279567 582691877 /nfs/dbraw/zinc/69/18/77/582691877.db2.gz LOFWNNRIJXXTAD-UHFFFAOYSA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 204533331 582697166 /nfs/dbraw/zinc/69/71/66/582697166.db2.gz UUORQGKSROIENK-SNVBAGLBSA-N 2 1 168.284 1.223 20 0 ADADMP CC(C)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 204533331 582697170 /nfs/dbraw/zinc/69/71/70/582697170.db2.gz UUORQGKSROIENK-SNVBAGLBSA-N 2 1 168.284 1.223 20 0 ADADMP CCC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229541321 582706043 /nfs/dbraw/zinc/70/60/43/582706043.db2.gz ZTAMJIBOSDEAOA-UWVGGRQHSA-N 2 1 170.300 1.469 20 0 ADADMP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](C)C2)CC[NH2+]1 229540343 582706641 /nfs/dbraw/zinc/70/66/41/582706641.db2.gz BKGRDDFUDSZVQT-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541311 582706699 /nfs/dbraw/zinc/70/66/99/582706699.db2.gz ZTAMJIBOSDEAOA-VHSXEESVSA-N 2 1 170.300 1.469 20 0 ADADMP Cc1[nH+]ccn1CCC[NH2+]C(C)C 42409837 582712183 /nfs/dbraw/zinc/71/21/83/582712183.db2.gz ULDNKWVXMKPIPE-UHFFFAOYSA-N 2 1 181.283 1.580 20 0 ADADMP CC[NH+](CC)CCC[N@@H+]1C[C@H]2C[C@H]2C1 886346623 582737086 /nfs/dbraw/zinc/73/70/86/582737086.db2.gz MRTNWCQXYUNXDT-TXEJJXNPSA-N 2 1 196.338 1.670 20 0 ADADMP CC[N@H+](CCn1cc[nH+]c1C)C(C)C 762378723 582815486 /nfs/dbraw/zinc/81/54/86/582815486.db2.gz RWXFYKYGOYPGKT-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP CC[N@@H+](CCn1cc[nH+]c1C)C(C)C 762378723 582815490 /nfs/dbraw/zinc/81/54/90/582815490.db2.gz RWXFYKYGOYPGKT-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP C[C@@H](CSC(C)(C)C)[NH2+]CC[NH3+] 817935051 582998619 /nfs/dbraw/zinc/99/86/19/582998619.db2.gz UNUYOEXPCZKRIB-QMMMGPOBSA-N 2 1 190.356 1.455 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CC1 817959455 582998672 /nfs/dbraw/zinc/99/86/72/582998672.db2.gz GCECKKDOHPGDBP-UTUOFQBUSA-N 2 1 194.322 1.502 20 0 ADADMP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH3+] 817934420 582998788 /nfs/dbraw/zinc/99/87/88/582998788.db2.gz HQQWBDHCUFHUMM-GFCCVEGCSA-N 2 1 190.290 1.531 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCC1 817906968 582998840 /nfs/dbraw/zinc/99/88/40/582998840.db2.gz IQSQQXUUTFYNJC-CMPLNLGQSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCC1 817907062 582998859 /nfs/dbraw/zinc/99/88/59/582998859.db2.gz IQSQQXUUTFYNJC-PWSUYJOCSA-N 2 1 196.338 1.764 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CC1 817959458 582998886 /nfs/dbraw/zinc/99/88/86/582998886.db2.gz GCECKKDOHPGDBP-WOPDTQHZSA-N 2 1 194.322 1.502 20 0 ADADMP C1C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[NH2+]1 817927145 582998997 /nfs/dbraw/zinc/99/89/97/582998997.db2.gz CESVMCPEFJVSAL-DCAQKATOSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 817940831 582999009 /nfs/dbraw/zinc/99/90/09/582999009.db2.gz LEIWGYLUOIGDJL-WOPDTQHZSA-N 2 1 194.322 1.517 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CC1 817959453 582999078 /nfs/dbraw/zinc/99/90/78/582999078.db2.gz GCECKKDOHPGDBP-TUAOUCFPSA-N 2 1 194.322 1.502 20 0 ADADMP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH3+] 817934421 582999155 /nfs/dbraw/zinc/99/91/55/582999155.db2.gz HQQWBDHCUFHUMM-LBPRGKRZSA-N 2 1 190.290 1.531 20 0 ADADMP C1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[NH2+]1 817927147 582999192 /nfs/dbraw/zinc/99/91/92/582999192.db2.gz CESVMCPEFJVSAL-GARJFASQSA-N 2 1 180.295 1.127 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1CCC1 817907064 582999230 /nfs/dbraw/zinc/99/92/30/582999230.db2.gz IQSQQXUUTFYNJC-ZYHUDNBSSA-N 2 1 196.338 1.764 20 0 ADADMP C1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[NH2+]1 817927149 582999254 /nfs/dbraw/zinc/99/92/54/582999254.db2.gz CESVMCPEFJVSAL-HBNTYKKESA-N 2 1 180.295 1.127 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1CCC1 817906969 582999273 /nfs/dbraw/zinc/99/92/73/582999273.db2.gz IQSQQXUUTFYNJC-JQWIXIFHSA-N 2 1 196.338 1.764 20 0 ADADMP C1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[NH2+]1 817927138 582999321 /nfs/dbraw/zinc/99/93/21/582999321.db2.gz CESVMCPEFJVSAL-AXFHLTTASA-N 2 1 180.295 1.127 20 0 ADADMP C[C@H](CSC(C)(C)C)[NH2+]CC[NH3+] 817935046 582999393 /nfs/dbraw/zinc/99/93/93/582999393.db2.gz UNUYOEXPCZKRIB-MRVPVSSYSA-N 2 1 190.356 1.455 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 817940830 582999444 /nfs/dbraw/zinc/99/94/44/582999444.db2.gz LEIWGYLUOIGDJL-UTUOFQBUSA-N 2 1 194.322 1.517 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H]1C1CC1 817951667 582999629 /nfs/dbraw/zinc/99/96/29/582999629.db2.gz JBTZTEMWLKYEAH-QWRGUYRKSA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CC(C)(C)C 817953309 582999683 /nfs/dbraw/zinc/99/96/83/582999683.db2.gz ZXVYMTFNRYQQRJ-SECBINFHSA-N 2 1 172.316 1.620 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1[C@H](C)CCC[C@H]1C 817969368 582999719 /nfs/dbraw/zinc/99/97/19/582999719.db2.gz DBTKZGXNJCSMII-BBBLOLIVSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)C1C(C)(C)C1(C)C 817969682 582999727 /nfs/dbraw/zinc/99/97/27/582999727.db2.gz GZUIBQBBNGHQPU-DTWKUNHWSA-N 2 1 198.354 1.994 20 0 ADADMP C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH2+]C1CC1 817951836 582999890 /nfs/dbraw/zinc/99/98/90/582999890.db2.gz BBMGKENWHVQCCF-VXGBXAGGSA-N 2 1 194.322 1.517 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 817964964 582999922 /nfs/dbraw/zinc/99/99/22/582999922.db2.gz LEIWGYLUOIGDJL-SRVKXCTJSA-N 2 1 194.322 1.517 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CC1 817959451 582999932 /nfs/dbraw/zinc/99/99/32/582999932.db2.gz GCECKKDOHPGDBP-SRVKXCTJSA-N 2 1 194.322 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1C(C)(C)C1(C)C 817969683 582999934 /nfs/dbraw/zinc/99/99/34/582999934.db2.gz GZUIBQBBNGHQPU-IUCAKERBSA-N 2 1 198.354 1.994 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H]1C1CC1 817951666 582999938 /nfs/dbraw/zinc/99/99/38/582999938.db2.gz JBTZTEMWLKYEAH-MNOVXSKESA-N 2 1 182.311 1.374 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CC1 817966111 582999974 /nfs/dbraw/zinc/99/99/74/582999974.db2.gz GLYVUUSONBVUJQ-QNSHHTMESA-N 2 1 168.284 1.112 20 0 ADADMP C(C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH2+]C1CC1 817951829 582999978 /nfs/dbraw/zinc/99/99/78/582999978.db2.gz BBMGKENWHVQCCF-NEPJUHHUSA-N 2 1 194.322 1.517 20 0 ADADMP C(C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH2+]C1CC1 817951832 582999986 /nfs/dbraw/zinc/99/99/86/582999986.db2.gz BBMGKENWHVQCCF-NWDGAFQWSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CC1 817969669 583000012 /nfs/dbraw/zinc/00/00/12/583000012.db2.gz GLYVUUSONBVUJQ-SFGNSQDASA-N 2 1 168.284 1.112 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]1C1CC1 817951668 583000032 /nfs/dbraw/zinc/00/00/32/583000032.db2.gz JBTZTEMWLKYEAH-WDEREUQCSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CC1 817969667 583000101 /nfs/dbraw/zinc/00/01/01/583000101.db2.gz GLYVUUSONBVUJQ-FXBDTBDDSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 817969370 583000122 /nfs/dbraw/zinc/00/01/22/583000122.db2.gz DBTKZGXNJCSMII-ZRUFSTJUSA-N 2 1 184.327 1.748 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CC(C)(C)C 817953310 583000235 /nfs/dbraw/zinc/00/02/35/583000235.db2.gz ZXVYMTFNRYQQRJ-VIFPVBQESA-N 2 1 172.316 1.620 20 0 ADADMP C(C[NH2+][C@H]1CC[C@H]1C1CC1)[NH2+]C1CC1 817951834 583000294 /nfs/dbraw/zinc/00/02/94/583000294.db2.gz BBMGKENWHVQCCF-RYUDHWBXSA-N 2 1 194.322 1.517 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 817964963 583000305 /nfs/dbraw/zinc/00/03/05/583000305.db2.gz LEIWGYLUOIGDJL-SDDRHHMPSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CC1 817966112 583000321 /nfs/dbraw/zinc/00/03/21/583000321.db2.gz GLYVUUSONBVUJQ-SZEHBUNVSA-N 2 1 168.284 1.112 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 817940828 583000377 /nfs/dbraw/zinc/00/03/77/583000377.db2.gz LEIWGYLUOIGDJL-IJLUTSLNSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1[C@@H](C)CCC[C@@H]1C 817969369 583000419 /nfs/dbraw/zinc/00/04/19/583000419.db2.gz DBTKZGXNJCSMII-GUBZILKMSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CC1 817969668 583000431 /nfs/dbraw/zinc/00/04/31/583000431.db2.gz GLYVUUSONBVUJQ-HGNGGELXSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CC1 817966110 583000528 /nfs/dbraw/zinc/00/05/28/583000528.db2.gz GLYVUUSONBVUJQ-JEZHCXPESA-N 2 1 168.284 1.112 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C1CC1 817951665 583000573 /nfs/dbraw/zinc/00/05/73/583000573.db2.gz JBTZTEMWLKYEAH-GHMZBOCLSA-N 2 1 182.311 1.374 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 817940824 583000631 /nfs/dbraw/zinc/00/06/31/583000631.db2.gz LEIWGYLUOIGDJL-GRYCIOLGSA-N 2 1 194.322 1.517 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 817964962 583000675 /nfs/dbraw/zinc/00/06/75/583000675.db2.gz LEIWGYLUOIGDJL-QJPTWQEYSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CC1 817966109 583000693 /nfs/dbraw/zinc/00/06/93/583000693.db2.gz GLYVUUSONBVUJQ-FKTZTGRPSA-N 2 1 168.284 1.112 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 817964965 583000706 /nfs/dbraw/zinc/00/07/06/583000706.db2.gz LEIWGYLUOIGDJL-TUAOUCFPSA-N 2 1 194.322 1.517 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])[C@H]1C[C@@H]1C 817969973 583000926 /nfs/dbraw/zinc/00/09/26/583000926.db2.gz IUESLDOPOVXQPX-XKNYDFJKSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CCC1 817970080 583000939 /nfs/dbraw/zinc/00/09/39/583000939.db2.gz KYOFZNNRZOKQRW-INTQDDNPSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 817970231 583000946 /nfs/dbraw/zinc/00/09/46/583000946.db2.gz OVPJFCKPWJYYNO-VPOLOUISSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH3+] 817970412 583001006 /nfs/dbraw/zinc/00/10/06/583001006.db2.gz UZVJZTHARIHIEU-DJLDLDEBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)C[C@H]1C 817970555 583001027 /nfs/dbraw/zinc/00/10/27/583001027.db2.gz ZWVFJRSFAOCJBA-KXUCPTDWSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CCC1 817970082 583001061 /nfs/dbraw/zinc/00/10/61/583001061.db2.gz KYOFZNNRZOKQRW-LSJOCFKGSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CCC1 817970079 583001071 /nfs/dbraw/zinc/00/10/71/583001071.db2.gz KYOFZNNRZOKQRW-GDPRMGEGSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CCC1 817970081 583001087 /nfs/dbraw/zinc/00/10/87/583001087.db2.gz KYOFZNNRZOKQRW-JMJZKYOTSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 817970556 583001104 /nfs/dbraw/zinc/00/11/04/583001104.db2.gz ZWVFJRSFAOCJBA-LPEHRKFASA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH3+] 817970411 583001154 /nfs/dbraw/zinc/00/11/54/583001154.db2.gz UZVJZTHARIHIEU-CIUDSAMLSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC12CCC2 817970333 583001159 /nfs/dbraw/zinc/00/11/59/583001159.db2.gz RNZXLKKMUOXTRP-UWVGGRQHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)C[C@H]1C 817970557 583001163 /nfs/dbraw/zinc/00/11/63/583001163.db2.gz ZWVFJRSFAOCJBA-UTLUCORTSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 817969946 583001223 /nfs/dbraw/zinc/00/12/23/583001223.db2.gz ILGJWILGWGQOIT-IUCAKERBSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] 817970545 583001300 /nfs/dbraw/zinc/00/13/00/583001300.db2.gz ZOEXQZSCWCHPJB-LPEHRKFASA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 817970544 583001310 /nfs/dbraw/zinc/00/13/10/583001310.db2.gz ZOEXQZSCWCHPJB-GUBZILKMSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](C)CC[C@H]1C 817970232 583001329 /nfs/dbraw/zinc/00/13/29/583001329.db2.gz OVPJFCKPWJYYNO-ZNSHCXBVSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](C)CC[C@@H]1C 817970230 583001350 /nfs/dbraw/zinc/00/13/50/583001350.db2.gz OVPJFCKPWJYYNO-RCWTZXSCSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CC1 817969670 583001404 /nfs/dbraw/zinc/00/14/04/583001404.db2.gz GLYVUUSONBVUJQ-UJNFCWOMSA-N 2 1 168.284 1.112 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@@H](C)C[NH3+] 817970413 583001445 /nfs/dbraw/zinc/00/14/45/583001445.db2.gz UZVJZTHARIHIEU-XHNCKOQMSA-N 2 1 156.273 1.112 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccncc1 817970358 583001503 /nfs/dbraw/zinc/00/15/03/583001503.db2.gz SBUBVNMUPNZHGR-ONGXEEELSA-N 2 1 193.294 1.470 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 817970229 583001563 /nfs/dbraw/zinc/00/15/63/583001563.db2.gz OVPJFCKPWJYYNO-CHWFTXMASA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC(C)(C)C[C@@H]1C 817970554 583001573 /nfs/dbraw/zinc/00/15/73/583001573.db2.gz ZWVFJRSFAOCJBA-GUBZILKMSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])[C@H]1C[C@H]1C 817969968 583001590 /nfs/dbraw/zinc/00/15/90/583001590.db2.gz IUESLDOPOVXQPX-KATARQTJSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 817969945 583001633 /nfs/dbraw/zinc/00/16/33/583001633.db2.gz ILGJWILGWGQOIT-DTWKUNHWSA-N 2 1 168.284 1.256 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])[C@@H]1C[C@@H]1C 817969970 583001651 /nfs/dbraw/zinc/00/16/51/583001651.db2.gz IUESLDOPOVXQPX-QEYWKRMJSA-N 2 1 170.300 1.358 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])[C@@H]1C[C@H]1C 817969971 583001665 /nfs/dbraw/zinc/00/16/65/583001665.db2.gz IUESLDOPOVXQPX-RGOKHQFPSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC12CCC2 817970334 583001809 /nfs/dbraw/zinc/00/18/09/583001809.db2.gz RNZXLKKMUOXTRP-VHSXEESVSA-N 2 1 182.311 1.646 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH3+] 817970414 583001855 /nfs/dbraw/zinc/00/18/55/583001855.db2.gz UZVJZTHARIHIEU-YIZRAAEISA-N 2 1 156.273 1.112 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccncc1 817970357 583001880 /nfs/dbraw/zinc/00/18/80/583001880.db2.gz SBUBVNMUPNZHGR-GXSJLCMTSA-N 2 1 193.294 1.470 20 0 ADADMP CCCC[C@H](COC)[NH2+][C@@H](C)C[NH3+] 841066393 583111694 /nfs/dbraw/zinc/11/16/94/583111694.db2.gz LHIWZEONPIPPQU-VHSXEESVSA-N 2 1 188.315 1.128 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C2CC2)C1 841066858 583111804 /nfs/dbraw/zinc/11/18/04/583111804.db2.gz PLUODSZLHZKQGS-ZMLRMANQSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1C1CC1 841066097 583111814 /nfs/dbraw/zinc/11/18/14/583111814.db2.gz JZEIOMPARZGDLE-ZMLRMANQSA-N 2 1 196.338 1.892 20 0 ADADMP CCCC(CCC)[NH2+][C@@H](C)C[NH3+] 841066923 583111868 /nfs/dbraw/zinc/11/18/68/583111868.db2.gz RSZPPJYTZKTONF-VIFPVBQESA-N 2 1 172.316 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 841067466 583111896 /nfs/dbraw/zinc/11/18/96/583111896.db2.gz ZKANSHMXNULVES-ZNSHCXBVSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] 841066139 583111956 /nfs/dbraw/zinc/11/19/56/583111956.db2.gz KTORLCZPGGLWDK-GARJFASQSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 841105388 583111962 /nfs/dbraw/zinc/11/19/62/583111962.db2.gz MATLUOQFALJFHP-WOPDTQHZSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 841105388 583111964 /nfs/dbraw/zinc/11/19/64/583111964.db2.gz MATLUOQFALJFHP-WOPDTQHZSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1C 841066580 583111997 /nfs/dbraw/zinc/11/19/97/583111997.db2.gz NOSLWXAVDKWRHR-VGMNWLOBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 841065345 583112008 /nfs/dbraw/zinc/11/20/08/583112008.db2.gz AUFJPWRXUJXKSI-LPEHRKFASA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 841105386 583112030 /nfs/dbraw/zinc/11/20/30/583112030.db2.gz MATLUOQFALJFHP-IJLUTSLNSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 841105386 583112033 /nfs/dbraw/zinc/11/20/33/583112033.db2.gz MATLUOQFALJFHP-IJLUTSLNSA-N 2 1 194.322 1.470 20 0 ADADMP CCCC[C@@H](CC)[NH2+][C@@H](C)C[NH3+] 841066084 583112068 /nfs/dbraw/zinc/11/20/68/583112068.db2.gz JJXAUEPPCNHNPY-VHSXEESVSA-N 2 1 172.316 1.892 20 0 ADADMP C[C@@H]1CC([NH2+][C@@H](C)C[NH3+])C[C@@H](C)C1 841066072 583112180 /nfs/dbraw/zinc/11/21/80/583112180.db2.gz JBWSRENDJGCQQW-GUBZILKMSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C1CC1 841066096 583112155 /nfs/dbraw/zinc/11/21/55/583112155.db2.gz JZEIOMPARZGDLE-WCQGTBRESA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 841105385 583112673 /nfs/dbraw/zinc/11/26/73/583112673.db2.gz MATLUOQFALJFHP-GRYCIOLGSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 841105387 583112226 /nfs/dbraw/zinc/11/22/26/583112226.db2.gz MATLUOQFALJFHP-UTUOFQBUSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 841105387 583112228 /nfs/dbraw/zinc/11/22/28/583112228.db2.gz MATLUOQFALJFHP-UTUOFQBUSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1C1CC1 841066094 583112236 /nfs/dbraw/zinc/11/22/36/583112236.db2.gz JZEIOMPARZGDLE-DLOVCJGASA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C/C=C/c1ccccc1 841062728 583112292 /nfs/dbraw/zinc/11/22/92/583112292.db2.gz BZOPHBAUJSLYSX-BWNDKRECSA-N 2 1 190.290 1.637 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1 841065319 583112301 /nfs/dbraw/zinc/11/23/01/583112301.db2.gz AUFJPWRXUJXKSI-GUBZILKMSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C2CC2)C1 841066855 583112311 /nfs/dbraw/zinc/11/23/11/583112311.db2.gz PLUODSZLHZKQGS-DLOVCJGASA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 841105385 583112674 /nfs/dbraw/zinc/11/26/74/583112674.db2.gz MATLUOQFALJFHP-GRYCIOLGSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C 841065454 583112385 /nfs/dbraw/zinc/11/23/85/583112385.db2.gz CIUSGMAPGBFAGF-LMLFDSFASA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 841066138 583112489 /nfs/dbraw/zinc/11/24/89/583112489.db2.gz KTORLCZPGGLWDK-DCAQKATOSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 841066856 583112517 /nfs/dbraw/zinc/11/25/17/583112517.db2.gz PLUODSZLHZKQGS-MVWJERBFSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C1CC1 841066095 583112527 /nfs/dbraw/zinc/11/25/27/583112527.db2.gz JZEIOMPARZGDLE-MVWJERBFSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C 841066153 583112571 /nfs/dbraw/zinc/11/25/71/583112571.db2.gz LAYBGZFFPAPBLX-CHWFTXMASA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 841066137 583112580 /nfs/dbraw/zinc/11/25/80/583112580.db2.gz KTORLCZPGGLWDK-AXFHLTTASA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C2CC2)C1 841066857 583112586 /nfs/dbraw/zinc/11/25/86/583112586.db2.gz PLUODSZLHZKQGS-WCQGTBRESA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C)[C@H]1C 841065455 583112707 /nfs/dbraw/zinc/11/27/07/583112707.db2.gz CIUSGMAPGBFAGF-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C/C=C\c1ccccc1 841062729 583112727 /nfs/dbraw/zinc/11/27/27/583112727.db2.gz BZOPHBAUJSLYSX-OFSNVTPPSA-N 2 1 190.290 1.637 20 0 ADADMP CC(C)[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] 841066140 583112749 /nfs/dbraw/zinc/11/27/49/583112749.db2.gz KTORLCZPGGLWDK-HBNTYKKESA-N 2 1 184.327 1.748 20 0 ADADMP CCCC[C@H](CC)[NH2+][C@@H](C)C[NH3+] 841066083 583112770 /nfs/dbraw/zinc/11/27/70/583112770.db2.gz JJXAUEPPCNHNPY-UWVGGRQHSA-N 2 1 172.316 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1C 841066579 583112778 /nfs/dbraw/zinc/11/27/78/583112778.db2.gz NOSLWXAVDKWRHR-HRDYMLBCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 841067464 583112785 /nfs/dbraw/zinc/11/27/85/583112785.db2.gz ZKANSHMXNULVES-CHWFTXMASA-N 2 1 184.327 1.748 20 0 ADADMP CC1(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 841105576 583112813 /nfs/dbraw/zinc/11/28/13/583112813.db2.gz QKQWZRHGHUEUHS-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP CC1(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 841105576 583112814 /nfs/dbraw/zinc/11/28/14/583112814.db2.gz QKQWZRHGHUEUHS-LBPRGKRZSA-N 2 1 194.322 1.614 20 0 ADADMP CCCC[C@@H](COC)[NH2+][C@@H](C)C[NH3+] 841066391 583112825 /nfs/dbraw/zinc/11/28/25/583112825.db2.gz LHIWZEONPIPPQU-UWVGGRQHSA-N 2 1 188.315 1.128 20 0 ADADMP CC1(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 841105575 583112866 /nfs/dbraw/zinc/11/28/66/583112866.db2.gz QKQWZRHGHUEUHS-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP CC1(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 841105575 583112870 /nfs/dbraw/zinc/11/28/70/583112870.db2.gz QKQWZRHGHUEUHS-GFCCVEGCSA-N 2 1 194.322 1.614 20 0 ADADMP [NH3+]CCCCCC[NH2+]Cc1ccn[nH]1 843126482 583132461 /nfs/dbraw/zinc/13/24/61/583132461.db2.gz GVVJKMFSAPFTQU-UHFFFAOYSA-N 2 1 196.298 1.018 20 0 ADADMP C[C@](C[NH3+])([NH2+]C/C=C\Cl)C1CC1 846217992 583152987 /nfs/dbraw/zinc/15/29/87/583152987.db2.gz QWRXMNPOJARVTQ-JHYPKJRRSA-N 2 1 188.702 1.456 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C/C=C/Cl 846217710 583153109 /nfs/dbraw/zinc/15/31/09/583153109.db2.gz MMQAREQTHLCHQJ-XNPJLODASA-N 2 1 190.718 1.702 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]C/C=C/Cl 846217708 583153240 /nfs/dbraw/zinc/15/32/40/583153240.db2.gz MMQAREQTHLCHQJ-MOVJSRMASA-N 2 1 190.718 1.702 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]C/C=C\Cl 846217709 583153367 /nfs/dbraw/zinc/15/33/67/583153367.db2.gz MMQAREQTHLCHQJ-WBSSQXGSSA-N 2 1 190.718 1.702 20 0 ADADMP C[C@@](C[NH3+])([NH2+]C/C=C\Cl)C1CC1 846217991 583153380 /nfs/dbraw/zinc/15/33/80/583153380.db2.gz QWRXMNPOJARVTQ-ANTNXHBISA-N 2 1 188.702 1.456 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]C/C=C\Cl 846217711 583153473 /nfs/dbraw/zinc/15/34/73/583153473.db2.gz MMQAREQTHLCHQJ-XRVBUDJMSA-N 2 1 190.718 1.702 20 0 ADADMP [NH3+]C1(C[NH2+]C/C=C\Cl)CCC1 846220208 583153765 /nfs/dbraw/zinc/15/37/65/583153765.db2.gz KUUJFERSVWVWLF-DJWKRKHSSA-N 2 1 174.675 1.210 20 0 ADADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C/C=C\Cl 846223782 583153825 /nfs/dbraw/zinc/15/38/25/583153825.db2.gz OCQVWMBDAMBMQX-UCOPNCLCSA-N 2 1 188.702 1.598 20 0 ADADMP C[C@](C[NH3+])([NH2+]C/C=C/Cl)C1CC1 846217994 583153836 /nfs/dbraw/zinc/15/38/36/583153836.db2.gz QWRXMNPOJARVTQ-OSOUNJMWSA-N 2 1 188.702 1.456 20 0 ADADMP C[C@@](C[NH3+])([NH2+]C/C=C/Cl)C1CC1 846217993 583153915 /nfs/dbraw/zinc/15/39/15/583153915.db2.gz QWRXMNPOJARVTQ-MAHOQKISSA-N 2 1 188.702 1.456 20 0 ADADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C/C=C/Cl 846223780 583153969 /nfs/dbraw/zinc/15/39/69/583153969.db2.gz OCQVWMBDAMBMQX-PVNVNXCXSA-N 2 1 188.702 1.598 20 0 ADADMP [NH3+]C1(C[NH2+]C/C=C/Cl)CCC1 846220209 583154015 /nfs/dbraw/zinc/15/40/15/583154015.db2.gz KUUJFERSVWVWLF-GORDUTHDSA-N 2 1 174.675 1.210 20 0 ADADMP C1CCN(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 852635486 583208224 /nfs/dbraw/zinc/20/82/24/583208224.db2.gz NFVZQIBPNVIVAX-VXGBXAGGSA-N 2 1 194.322 1.424 20 0 ADADMP C1CCN(CC[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 852635486 583208228 /nfs/dbraw/zinc/20/82/28/583208228.db2.gz NFVZQIBPNVIVAX-VXGBXAGGSA-N 2 1 194.322 1.424 20 0 ADADMP C1C[C@@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C[NH2+]1 863545954 583310567 /nfs/dbraw/zinc/31/05/67/583310567.db2.gz CESVMCPEFJVSAL-OUAUKWLOSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C[NH2+]1 863545952 583310635 /nfs/dbraw/zinc/31/06/35/583310635.db2.gz CESVMCPEFJVSAL-GMTAPVOTSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C[NH2+]1 863545953 583311195 /nfs/dbraw/zinc/31/11/95/583311195.db2.gz CESVMCPEFJVSAL-MXWKQRLJSA-N 2 1 180.295 1.127 20 0 ADADMP C1C[C@@H]([NH2+][C@H]2CC[C@H]2C2CC2)C[NH2+]1 863545955 583311287 /nfs/dbraw/zinc/31/12/87/583311287.db2.gz CESVMCPEFJVSAL-VWYCJHECSA-N 2 1 180.295 1.127 20 0 ADADMP COCCCCC[N@@H+](C)C[C@@H](C)[NH3+] 863569655 583311957 /nfs/dbraw/zinc/31/19/57/583311957.db2.gz XOEFLAYQRUIQPE-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP COCCCCC[N@@H+](C)C[C@H](C)[NH3+] 863569643 583312439 /nfs/dbraw/zinc/31/24/39/583312439.db2.gz XOEFLAYQRUIQPE-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CC(C)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 204533351 583316147 /nfs/dbraw/zinc/31/61/47/583316147.db2.gz UUORQGKSROIENK-JTQLQIEISA-N 2 1 168.284 1.223 20 0 ADADMP CC(C)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 204533351 583316149 /nfs/dbraw/zinc/31/61/49/583316149.db2.gz UUORQGKSROIENK-JTQLQIEISA-N 2 1 168.284 1.223 20 0 ADADMP CCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] 20519815 583381761 /nfs/dbraw/zinc/38/17/61/583381761.db2.gz ZUKKYYUPKNWVFZ-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CCCCCC[N@H+]1CCC[C@@H]1C[NH3+] 20519815 583381762 /nfs/dbraw/zinc/38/17/62/583381762.db2.gz ZUKKYYUPKNWVFZ-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CCCCCC[N@@H+](C)CCC[NH3+] 20519714 583382126 /nfs/dbraw/zinc/38/21/26/583382126.db2.gz RJFJAHNWNCTCNZ-UHFFFAOYSA-N 2 1 172.316 1.847 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C/Cl 126979532 583407374 /nfs/dbraw/zinc/40/73/74/583407374.db2.gz UUBKWOZOBYNRKC-KHVQUVQLSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C/Cl 126980015 583407826 /nfs/dbraw/zinc/40/78/26/583407826.db2.gz UUBKWOZOBYNRKC-ALCGYSGWSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@H]1CC[C@H]([NH2+][C@@H](C)C[NH3+])C1 128670812 583439608 /nfs/dbraw/zinc/43/96/08/583439608.db2.gz HDVNRPDPEJILKK-CIUDSAMLSA-N 2 1 156.273 1.112 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 211346058 583439698 /nfs/dbraw/zinc/43/96/98/583439698.db2.gz QLXPEMZVDCJUIV-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 211346058 583439701 /nfs/dbraw/zinc/43/97/01/583439701.db2.gz QLXPEMZVDCJUIV-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@H+](C/C=C\Cl)CC(C)(C)C[NH3+] 211166474 583439809 /nfs/dbraw/zinc/43/98/09/583439809.db2.gz KMJZPQMNWZHVNP-PLNGDYQASA-N 2 1 190.718 1.656 20 0 ADADMP C[N@@H+](C/C=C\Cl)CC(C)(C)C[NH3+] 211166474 583439812 /nfs/dbraw/zinc/43/98/12/583439812.db2.gz KMJZPQMNWZHVNP-PLNGDYQASA-N 2 1 190.718 1.656 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 128671214 583440076 /nfs/dbraw/zinc/44/00/76/583440076.db2.gz HDVNRPDPEJILKK-XHNCKOQMSA-N 2 1 156.273 1.112 20 0 ADADMP CCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 211347735 583440392 /nfs/dbraw/zinc/44/03/92/583440392.db2.gz NDWLHOCUGJWZCD-LLVKDONJSA-N 2 1 182.311 1.614 20 0 ADADMP CC(C)C[N@H+]1CCCC12CC[NH2+]CC2 211347321 583440440 /nfs/dbraw/zinc/44/04/40/583440440.db2.gz BZKFGZSBSGBAHC-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@]12CC[NH2+]C2 211345900 583440448 /nfs/dbraw/zinc/44/04/48/583440448.db2.gz PXLKMFZFLCQWMM-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@H+]1CCC[C@@]12CCC[NH2+]C2 211348059 583440478 /nfs/dbraw/zinc/44/04/78/583440478.db2.gz WKESJZPYHSLCQU-SNVBAGLBSA-N 2 1 168.284 1.224 20 0 ADADMP CCC[N@H+]1CCC[C@]12CC[NH2+]C2 211345287 583440490 /nfs/dbraw/zinc/44/04/90/583440490.db2.gz INZIUMDUAVNAOT-SNVBAGLBSA-N 2 1 168.284 1.224 20 0 ADADMP CCC[N@H+]1CCCC12CC[NH2+]CC2 211347047 583440615 /nfs/dbraw/zinc/44/06/15/583440615.db2.gz LAUHXKYJENPXBQ-UHFFFAOYSA-N 2 1 182.311 1.614 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@@]12CC[NH2+]C2 211345833 583440808 /nfs/dbraw/zinc/44/08/08/583440808.db2.gz PXLKMFZFLCQWMM-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@H+]1CCC[C@]12CCC[NH2+]C2 211347801 583440862 /nfs/dbraw/zinc/44/08/62/583440862.db2.gz NDWLHOCUGJWZCD-NSHDSACASA-N 2 1 182.311 1.614 20 0 ADADMP C1C[NH2+][C@]2(C1)CC[N@@H+](CC1CC1)C2 211346859 583441028 /nfs/dbraw/zinc/44/10/28/583441028.db2.gz ASQJOBHMBFBPFC-LLVKDONJSA-N 2 1 180.295 1.224 20 0 ADADMP C1C[NH2+][C@]2(C1)CC[N@H+](CC1CC1)C2 211346859 583441031 /nfs/dbraw/zinc/44/10/31/583441031.db2.gz ASQJOBHMBFBPFC-LLVKDONJSA-N 2 1 180.295 1.224 20 0 ADADMP CCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 211345435 583441304 /nfs/dbraw/zinc/44/13/04/583441304.db2.gz AEJYBNCZOFBOJB-JTQLQIEISA-N 2 1 168.284 1.224 20 0 ADADMP CCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 211345435 583441305 /nfs/dbraw/zinc/44/13/05/583441305.db2.gz AEJYBNCZOFBOJB-JTQLQIEISA-N 2 1 168.284 1.224 20 0 ADADMP Cc1nc(N[C@@H](C)C[NH3+])c(C)c(C)[nH+]1 211510594 583442272 /nfs/dbraw/zinc/44/22/72/583442272.db2.gz FXVOLWTZEGSPPJ-LURJTMIESA-N 2 1 194.282 1.161 20 0 ADADMP C=C/C=C\CC[NH2+][C@](C)(C[NH3+])C1CC1 883418965 583465537 /nfs/dbraw/zinc/46/55/37/583465537.db2.gz XAEITGRYEORSDU-QMAVJUDZSA-N 2 1 194.322 1.836 20 0 ADADMP C=C/C=C\CC[NH2+][C@@](C)(C[NH3+])C1CC1 883418966 583466205 /nfs/dbraw/zinc/46/62/05/583466205.db2.gz XAEITGRYEORSDU-RXNFCKPNSA-N 2 1 194.322 1.836 20 0 ADADMP C=C/C=C/CC[NH2+][C@](C)(C[NH3+])C1CC1 883418967 583466229 /nfs/dbraw/zinc/46/62/29/583466229.db2.gz XAEITGRYEORSDU-ZYOFXKKJSA-N 2 1 194.322 1.836 20 0 ADADMP C=C/C=C/CC[NH2+][C@@](C)(C[NH3+])C1CC1 883418964 583466253 /nfs/dbraw/zinc/46/62/53/583466253.db2.gz XAEITGRYEORSDU-ITKZLYELSA-N 2 1 194.322 1.836 20 0 ADADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2C[C@H]2C1 886346631 583497030 /nfs/dbraw/zinc/49/70/30/583497030.db2.gz MXTPBYVRXHWQOD-GRYCIOLGSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2C[C@H]2C1 886346631 583497032 /nfs/dbraw/zinc/49/70/32/583497032.db2.gz MXTPBYVRXHWQOD-GRYCIOLGSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2C[C@H]2C1 886346631 583497034 /nfs/dbraw/zinc/49/70/34/583497034.db2.gz MXTPBYVRXHWQOD-GRYCIOLGSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@H]2C[C@H]2C1 886346634 583497378 /nfs/dbraw/zinc/49/73/78/583497378.db2.gz MXTPBYVRXHWQOD-TUAOUCFPSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@H]2C[C@H]2C1 886346634 583497381 /nfs/dbraw/zinc/49/73/81/583497381.db2.gz MXTPBYVRXHWQOD-TUAOUCFPSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@H]2C[C@H]2C1 886346634 583497384 /nfs/dbraw/zinc/49/73/84/583497384.db2.gz MXTPBYVRXHWQOD-TUAOUCFPSA-N 2 1 194.322 1.422 20 0 ADADMP Cc1[nH+]ccn1CC[N@H+](C)CCCF 887141168 583505682 /nfs/dbraw/zinc/50/56/82/583505682.db2.gz IJXVQOINRPGRHH-UHFFFAOYSA-N 2 1 199.273 1.483 20 0 ADADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCF 887141168 583505686 /nfs/dbraw/zinc/50/56/86/583505686.db2.gz IJXVQOINRPGRHH-UHFFFAOYSA-N 2 1 199.273 1.483 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)C[C@H]1C 300024134 583509383 /nfs/dbraw/zinc/50/93/83/583509383.db2.gz LAYBGZFFPAPBLX-ZNSHCXBVSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)C[NH2+]C[C@@H]1CCCC[NH2+]1 40408523 490014277 /nfs/dbraw/zinc/01/42/77/490014277.db2.gz IJGLPQBTEIRLLP-JTQLQIEISA-N 2 1 170.300 1.374 20 0 ADADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccs1 40397570 490014154 /nfs/dbraw/zinc/01/41/54/490014154.db2.gz WGAHIEOYLJUTFA-SNVBAGLBSA-N 2 1 198.335 1.821 20 0 ADADMP C[NH2+]CC[NH2+]C1CCCCCC1 40397440 490014181 /nfs/dbraw/zinc/01/41/81/490014181.db2.gz AELRYFDVYHSUEN-UHFFFAOYSA-N 2 1 170.300 1.518 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1cccs1 40397628 490014189 /nfs/dbraw/zinc/01/41/89/490014189.db2.gz MJBYUALDQVZZKY-QMMMGPOBSA-N 2 1 184.308 1.575 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1cccs1 40397630 490014195 /nfs/dbraw/zinc/01/41/95/490014195.db2.gz MJBYUALDQVZZKY-MRVPVSSYSA-N 2 1 184.308 1.575 20 0 ADADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccs1 40397572 490014291 /nfs/dbraw/zinc/01/42/91/490014291.db2.gz WGAHIEOYLJUTFA-JTQLQIEISA-N 2 1 198.335 1.821 20 0 ADADMP CC(C)C[NH2+]C[C@H]1CCCC[NH2+]1 40408527 490014325 /nfs/dbraw/zinc/01/43/25/490014325.db2.gz IJGLPQBTEIRLLP-SNVBAGLBSA-N 2 1 170.300 1.374 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@H]1CCC[NH2+]C1 42457830 490015133 /nfs/dbraw/zinc/01/51/33/490015133.db2.gz ADXLYSZQDOUNFS-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH3+])C1 42491945 490015145 /nfs/dbraw/zinc/01/51/45/490015145.db2.gz JNGJOSVQLUBAOW-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP CC1CCC([N@@H+](C)CCC[NH3+])CC1 42472679 490015169 /nfs/dbraw/zinc/01/51/69/490015169.db2.gz GSGQCDQTSXIVMN-UHFFFAOYSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CC[N@@H+](C)CC(C)(C)[NH3+] 42457862 490015200 /nfs/dbraw/zinc/01/52/00/490015200.db2.gz ZAYMJBFYCSOCRB-UHFFFAOYSA-N 2 1 172.316 1.702 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCC(C)C 42457712 490015208 /nfs/dbraw/zinc/01/52/08/490015208.db2.gz MFNLFTRFEBXXKB-UHFFFAOYSA-N 2 1 172.316 1.574 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 42457827 490015272 /nfs/dbraw/zinc/01/52/72/490015272.db2.gz ADXLYSZQDOUNFS-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]1CCC[C@@H]([N@@H+](C)CCC[NH3+])C1 42491948 490015287 /nfs/dbraw/zinc/01/52/87/490015287.db2.gz JNGJOSVQLUBAOW-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP C[C@@H]1CCC[C@@H]([N@@H+](C)CCC[NH3+])C1 42491947 490015305 /nfs/dbraw/zinc/01/53/05/490015305.db2.gz JNGJOSVQLUBAOW-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CCC[N@@H+](CCC[NH2+]C)CC1CC1 42491036 490015313 /nfs/dbraw/zinc/01/53/13/490015313.db2.gz YPFSWHQHNQZMNO-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CCCC[N@@H+](CC(C)(C)[NH3+])C1CC1 42491320 490015326 /nfs/dbraw/zinc/01/53/26/490015326.db2.gz ZGAGZHIRYQROLS-UHFFFAOYSA-N 2 1 184.327 1.988 20 0 ADADMP CC(C)CC[N@@H+](C)CC1CC[NH2+]CC1 42457825 490015407 /nfs/dbraw/zinc/01/54/07/490015407.db2.gz ANTAOGUBDKTHJX-UHFFFAOYSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@H]1CCC[C@H]([N@@H+](C)CCC[NH3+])C1 42491946 490015414 /nfs/dbraw/zinc/01/54/14/490015414.db2.gz JNGJOSVQLUBAOW-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)C[C@H]1C 51746347 490015847 /nfs/dbraw/zinc/01/58/47/490015847.db2.gz QREPPRMOFIKOCP-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@H+](CCC[NH3+])CCC(F)(F)F 70911805 490018118 /nfs/dbraw/zinc/01/81/18/490018118.db2.gz NMSVEUGZVBISQC-UHFFFAOYSA-N 2 1 198.232 1.610 20 0 ADADMP CC[N@@H+](CCC[NH3+])CCC(F)(F)F 70911805 490018122 /nfs/dbraw/zinc/01/81/22/490018122.db2.gz NMSVEUGZVBISQC-UHFFFAOYSA-N 2 1 198.232 1.610 20 0 ADADMP CC(C)C[C@H]1CCC[N@H+]1CCC[NH3+] 75576755 490022648 /nfs/dbraw/zinc/02/26/48/490022648.db2.gz BUVRAGYMIYSQPX-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)C[C@@H]1CCC[N@H+]1CCC[NH3+] 75576754 490022705 /nfs/dbraw/zinc/02/27/05/490022705.db2.gz BUVRAGYMIYSQPX-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP Cc1ccsc1C[NH2+]CC(C)(C)[NH3+] 87309957 490025614 /nfs/dbraw/zinc/02/56/14/490025614.db2.gz PLSGPHTTWHAXKD-UHFFFAOYSA-N 2 1 198.335 1.883 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1sccc1C 87309891 490025676 /nfs/dbraw/zinc/02/56/76/490025676.db2.gz ITGZNSWZCBZQTN-SECBINFHSA-N 2 1 198.335 1.883 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1sccc1C 87309890 490025726 /nfs/dbraw/zinc/02/57/26/490025726.db2.gz ITGZNSWZCBZQTN-VIFPVBQESA-N 2 1 198.335 1.883 20 0 ADADMP CCC[NH2+]CC[NH2+]C1CC(C)C1 123595162 490028506 /nfs/dbraw/zinc/02/85/06/490028506.db2.gz OBTRUTXGQVWKGC-UHFFFAOYSA-N 2 1 170.300 1.374 20 0 ADADMP CC1CC([NH2+]C[C@@H]2CCCC[NH2+]2)C1 123554328 490028633 /nfs/dbraw/zinc/02/86/33/490028633.db2.gz CQJGCTFSYKNHLK-YVNMAJEFSA-N 2 1 182.311 1.517 20 0 ADADMP CC1CC([NH2+]C[C@H]2CCCC[NH2+]2)C1 123554590 490028862 /nfs/dbraw/zinc/02/88/62/490028862.db2.gz CQJGCTFSYKNHLK-HSOILSAZSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126159031 490036185 /nfs/dbraw/zinc/03/61/85/490036185.db2.gz NPADXJMQKICCOX-LPEHRKFASA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126159217 490036444 /nfs/dbraw/zinc/03/64/44/490036444.db2.gz NPADXJMQKICCOX-BBBLOLIVSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128507996 490045210 /nfs/dbraw/zinc/04/52/10/490045210.db2.gz MMEUMPASJWVVPJ-GARJFASQSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128508495 490045052 /nfs/dbraw/zinc/04/50/52/490045052.db2.gz MMEUMPASJWVVPJ-HBNTYKKESA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 128780866 490046101 /nfs/dbraw/zinc/04/61/01/490046101.db2.gz HILWVFLOMPFJQE-QWRGUYRKSA-N 2 1 196.338 1.892 20 0 ADADMP CC1(C)CC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 128781093 490046146 /nfs/dbraw/zinc/04/61/46/490046146.db2.gz HILWVFLOMPFJQE-MNOVXSKESA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 128732072 490046253 /nfs/dbraw/zinc/04/62/53/490046253.db2.gz OCKKSRAIWGTPFE-MIMYLULJSA-N 2 1 182.311 1.502 20 0 ADADMP CC1(C)CC[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 128781263 490046478 /nfs/dbraw/zinc/04/64/78/490046478.db2.gz HILWVFLOMPFJQE-WDEREUQCSA-N 2 1 196.338 1.892 20 0 ADADMP CC1(C)CC[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 128781469 490046577 /nfs/dbraw/zinc/04/65/77/490046577.db2.gz HILWVFLOMPFJQE-GHMZBOCLSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 128732532 490046741 /nfs/dbraw/zinc/04/67/41/490046741.db2.gz OCKKSRAIWGTPFE-IEBDPFPHSA-N 2 1 182.311 1.502 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C1 129364168 490050006 /nfs/dbraw/zinc/05/00/06/490050006.db2.gz AEXGUWPXHMASTF-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP C[C@H](C[NH2+]C1CC[NH+](C)CC1)C1CC1 129308269 490050050 /nfs/dbraw/zinc/05/00/50/490050050.db2.gz BVSSVJSTZUSNCR-SNVBAGLBSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H](C[NH2+]C1CC[NH+](C)CC1)C1CC1 129308030 490050198 /nfs/dbraw/zinc/05/01/98/490050198.db2.gz BVSSVJSTZUSNCR-JTQLQIEISA-N 2 1 196.338 1.716 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H](C)C1 129364002 490050329 /nfs/dbraw/zinc/05/03/29/490050329.db2.gz AEXGUWPXHMASTF-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H](C)C1 129364384 490050345 /nfs/dbraw/zinc/05/03/45/490050345.db2.gz AEXGUWPXHMASTF-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C1 129363788 490050409 /nfs/dbraw/zinc/05/04/09/490050409.db2.gz AEXGUWPXHMASTF-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 129482735 490050965 /nfs/dbraw/zinc/05/09/65/490050965.db2.gz GATMLGPONHLTAE-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C1 129482266 490051164 /nfs/dbraw/zinc/05/11/64/490051164.db2.gz GATMLGPONHLTAE-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 129498375 490051978 /nfs/dbraw/zinc/05/19/78/490051978.db2.gz UBVDTPZYAAQEII-MNOVXSKESA-N 2 1 184.327 1.859 20 0 ADADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 129567049 490052064 /nfs/dbraw/zinc/05/20/64/490052064.db2.gz NREDAJMRNWTJNF-HBNTYKKESA-N 2 1 184.327 1.857 20 0 ADADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 129567049 490052070 /nfs/dbraw/zinc/05/20/70/490052070.db2.gz NREDAJMRNWTJNF-HBNTYKKESA-N 2 1 184.327 1.857 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC(C)(C)C1 129513652 490052100 /nfs/dbraw/zinc/05/21/00/490052100.db2.gz PGJAXYMLLCVWIO-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C1 129505467 490052116 /nfs/dbraw/zinc/05/21/16/490052116.db2.gz FWIGRHSYWLUUGD-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC(C)(C)C1 129505261 490052273 /nfs/dbraw/zinc/05/22/73/490052273.db2.gz FWIGRHSYWLUUGD-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 129498192 490052287 /nfs/dbraw/zinc/05/22/87/490052287.db2.gz UBVDTPZYAAQEII-GHMZBOCLSA-N 2 1 184.327 1.859 20 0 ADADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 129567477 490052405 /nfs/dbraw/zinc/05/24/05/490052405.db2.gz NREDAJMRNWTJNF-AXFHLTTASA-N 2 1 184.327 1.857 20 0 ADADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 129567477 490052407 /nfs/dbraw/zinc/05/24/07/490052407.db2.gz NREDAJMRNWTJNF-AXFHLTTASA-N 2 1 184.327 1.857 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)C1 129513422 490052427 /nfs/dbraw/zinc/05/24/27/490052427.db2.gz PGJAXYMLLCVWIO-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)(C)CC[NH2+][C@@H]1CCC[NH2+]C1 129966400 490054181 /nfs/dbraw/zinc/05/41/81/490054181.db2.gz UCEBNFIQAUESDT-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)(C)CC[NH2+][C@H]1CCC[NH2+]C1 129966619 490054403 /nfs/dbraw/zinc/05/44/03/490054403.db2.gz UCEBNFIQAUESDT-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1CC[C@@H]1CC[NH2+]C1 157934141 490057452 /nfs/dbraw/zinc/05/74/52/490057452.db2.gz BUWUESNELNLYMV-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 157934419 490057490 /nfs/dbraw/zinc/05/74/90/490057490.db2.gz BUWUESNELNLYMV-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP CCCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163665027 490058959 /nfs/dbraw/zinc/05/89/59/490058959.db2.gz INYSARNFOWHTAW-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 204697735 490065068 /nfs/dbraw/zinc/06/50/68/490065068.db2.gz QOKRJHSNLOKSLH-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 204697722 490065141 /nfs/dbraw/zinc/06/51/41/490065141.db2.gz QOKRJHSNLOKSLH-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 220397268 490074718 /nfs/dbraw/zinc/07/47/18/490074718.db2.gz VIXVXXWBGFKQJL-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 220397330 490075091 /nfs/dbraw/zinc/07/50/91/490075091.db2.gz VIXVXXWBGFKQJL-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH3+] 221971295 490080334 /nfs/dbraw/zinc/08/03/34/490080334.db2.gz WOUCBYXZQHPGDQ-KXUCPTDWSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH3+] 221971395 490080521 /nfs/dbraw/zinc/08/05/21/490080521.db2.gz WOUCBYXZQHPGDQ-UTLUCORTSA-N 2 1 170.300 1.359 20 0 ADADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccncc1 231367705 490085264 /nfs/dbraw/zinc/08/52/64/490085264.db2.gz ZNHZZTXUOBNKGF-KOLCDFICSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccncc1 231367732 490085380 /nfs/dbraw/zinc/08/53/80/490085380.db2.gz ZNHZZTXUOBNKGF-MWLCHTKSSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1 231367676 490085424 /nfs/dbraw/zinc/08/54/24/490085424.db2.gz ZNHZZTXUOBNKGF-GXSJLCMTSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccncc1 231367653 490085486 /nfs/dbraw/zinc/08/54/86/490085486.db2.gz ZNHZZTXUOBNKGF-ONGXEEELSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 300351610 490092508 /nfs/dbraw/zinc/09/25/08/490092508.db2.gz BWUMGXRTXQFVBD-WDEREUQCSA-N 2 1 184.327 1.703 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@](C)(C[NH3+])C1 300351609 490092537 /nfs/dbraw/zinc/09/25/37/490092537.db2.gz BWUMGXRTXQFVBD-GHMZBOCLSA-N 2 1 184.327 1.703 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C)C1 306153243 490115051 /nfs/dbraw/zinc/11/50/51/490115051.db2.gz DUEDGPYTMFFKLW-YTWAJWBKSA-N 2 1 182.311 1.312 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 306153241 490115167 /nfs/dbraw/zinc/11/51/67/490115167.db2.gz DUEDGPYTMFFKLW-UKKRHICBSA-N 2 1 182.311 1.312 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2C)C1 306153237 490115329 /nfs/dbraw/zinc/11/53/29/490115329.db2.gz DUEDGPYTMFFKLW-LMLFDSFASA-N 2 1 182.311 1.312 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2C)C1 306153239 490115356 /nfs/dbraw/zinc/11/53/56/490115356.db2.gz DUEDGPYTMFFKLW-MMWGEVLESA-N 2 1 182.311 1.312 20 0 ADADMP CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C)N)C1 306191213 490116176 /nfs/dbraw/zinc/11/61/76/490116176.db2.gz XTPKSUYNNIDTGE-GMTAPVOTSA-N 2 1 184.327 1.844 20 0 ADADMP CC[C@@H]1CC[C@@H](C)N(C[C@@H](C)[NH3+])C1 306191213 490116186 /nfs/dbraw/zinc/11/61/86/490116186.db2.gz XTPKSUYNNIDTGE-GMTAPVOTSA-N 2 1 184.327 1.844 20 0 ADADMP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 306915726 490126984 /nfs/dbraw/zinc/12/69/84/490126984.db2.gz VOTUZCIMUWKLFP-GHMZBOCLSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 306915727 490127048 /nfs/dbraw/zinc/12/70/48/490127048.db2.gz VOTUZCIMUWKLFP-MNOVXSKESA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F 388900225 698002489 /nfs/dbraw/zinc/00/24/89/698002489.db2.gz NGOBTBSYFOXXSE-YUMQZZPRSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F 388900225 698002490 /nfs/dbraw/zinc/00/24/90/698002490.db2.gz NGOBTBSYFOXXSE-YUMQZZPRSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F 388900219 698002500 /nfs/dbraw/zinc/00/25/00/698002500.db2.gz NGOBTBSYFOXXSE-JGVFFNPUSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F 388900219 698002501 /nfs/dbraw/zinc/00/25/01/698002501.db2.gz NGOBTBSYFOXXSE-JGVFFNPUSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 854221608 698129531 /nfs/dbraw/zinc/12/95/31/698129531.db2.gz QBJNZTXHNQKRGY-UTUOFQBUSA-N 2 1 194.322 1.825 20 0 ADADMP CC(C)C[N@@H+](C)CCc1cncn1C 60312819 491021330 /nfs/dbraw/zinc/02/13/30/491021330.db2.gz HNYSFDYYBDGZCZ-UHFFFAOYSA-N 2 1 195.310 1.550 20 0 ADADMP CCC[N@@H+](CCC[NH3+])CC1CC1 21950199 491021035 /nfs/dbraw/zinc/02/10/35/491021035.db2.gz MMPRTTBIQSJQJY-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP CC[C@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 20523794 491021088 /nfs/dbraw/zinc/02/10/88/491021088.db2.gz TWAXMXSRUCZWMR-YEJSDXFRSA-N 2 1 196.338 2.000 20 0 ADADMP CC[C@@H](C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 20523793 491021092 /nfs/dbraw/zinc/02/10/92/491021092.db2.gz TWAXMXSRUCZWMR-WAAKLRNESA-N 2 1 196.338 2.000 20 0 ADADMP Cc1[nH+]ccn1CCC[NH+]1CCCC1 82615270 491022253 /nfs/dbraw/zinc/02/22/53/491022253.db2.gz JWIXHCFVBXRHKN-UHFFFAOYSA-N 2 1 193.294 1.677 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@H](C)[NH3+] 42456823 491021237 /nfs/dbraw/zinc/02/12/37/491021237.db2.gz KRCOWIHJSMRSTJ-VIFPVBQESA-N 2 1 158.289 1.312 20 0 ADADMP CC(C)CC[N@@H+](C)C[C@@H](C)[NH3+] 42456821 491021254 /nfs/dbraw/zinc/02/12/54/491021254.db2.gz KRCOWIHJSMRSTJ-SECBINFHSA-N 2 1 158.289 1.312 20 0 ADADMP Cn1cncc1CC[N@@H+](C)CC1CC1 60312950 491021322 /nfs/dbraw/zinc/02/13/22/491021322.db2.gz LGOMIGHWYMWYKI-UHFFFAOYSA-N 2 1 193.294 1.304 20 0 ADADMP CC(C)C[NH2+]CCc1c[nH+]cn1C 60312288 491021361 /nfs/dbraw/zinc/02/13/61/491021361.db2.gz PQBPTIULMBXFJR-UHFFFAOYSA-N 2 1 181.283 1.208 20 0 ADADMP CCCCC[C@H]1CCC[N@@H+]1CC[NH3+] 82291807 491021917 /nfs/dbraw/zinc/02/19/17/491021917.db2.gz AMNJHIYYEOODGW-NSHDSACASA-N 2 1 184.327 1.990 20 0 ADADMP CCCCC[C@H]1CCC[N@H+]1CC[NH3+] 82291807 491021918 /nfs/dbraw/zinc/02/19/18/491021918.db2.gz AMNJHIYYEOODGW-NSHDSACASA-N 2 1 184.327 1.990 20 0 ADADMP CCCCC[C@@H]1CCC[N@@H+]1CC[NH3+] 82291805 491021950 /nfs/dbraw/zinc/02/19/50/491021950.db2.gz AMNJHIYYEOODGW-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CCCCC[C@@H]1CCC[N@H+]1CC[NH3+] 82291805 491021951 /nfs/dbraw/zinc/02/19/51/491021951.db2.gz AMNJHIYYEOODGW-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 83054890 491023318 /nfs/dbraw/zinc/02/33/18/491023318.db2.gz YOZNHGLUCLQYGO-GFCCVEGCSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 83054887 491023359 /nfs/dbraw/zinc/02/33/59/491023359.db2.gz YOZNHGLUCLQYGO-LBPRGKRZSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+]1CCC([NH2+]CCC2CC2)CC1 83893640 491025584 /nfs/dbraw/zinc/02/55/84/491025584.db2.gz KTKVYLVZAXLLPF-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH+](C)CCC[NH2+]Cc1cc[nH]c1 85578765 491027748 /nfs/dbraw/zinc/02/77/48/491027748.db2.gz NUBSOMFNHIWQMK-UHFFFAOYSA-N 2 1 181.283 1.056 20 0 ADADMP Cn1ccc(C[NH2+]CCC[NH+](C)C)c1 85590007 491027962 /nfs/dbraw/zinc/02/79/62/491027962.db2.gz XJFMVIASWVKQIU-UHFFFAOYSA-N 2 1 195.310 1.066 20 0 ADADMP C[NH+](C)CCNc1cc[nH+]cc1Cl 86833004 491029469 /nfs/dbraw/zinc/02/94/69/491029469.db2.gz UKKGTFLJFJKHLO-UHFFFAOYSA-N 2 1 199.685 1.709 20 0 ADADMP CCC1(CC)CC[N@@H+](CCC[NH3+])C1 87232858 491029998 /nfs/dbraw/zinc/02/99/98/491029998.db2.gz FCCHUKFURSAAJJ-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP CC1(C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 87254606 491030077 /nfs/dbraw/zinc/03/00/77/491030077.db2.gz YKSDEGVYQDTAFD-JTQLQIEISA-N 2 1 182.311 1.328 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC(C)(C)C1 87252155 491030114 /nfs/dbraw/zinc/03/01/14/491030114.db2.gz JASYRUMYZGCRRM-UHFFFAOYSA-N 2 1 170.300 1.328 20 0 ADADMP CC1(C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 87254604 491030198 /nfs/dbraw/zinc/03/01/98/491030198.db2.gz YKSDEGVYQDTAFD-SNVBAGLBSA-N 2 1 182.311 1.328 20 0 ADADMP C[N@H+](CC[NH3+])CCC1CCCCC1 87473681 491031167 /nfs/dbraw/zinc/03/11/67/491031167.db2.gz POGUDJIPQGMWCA-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP C[N@@H+](CC[NH3+])CCC1CCCCC1 87473681 491031168 /nfs/dbraw/zinc/03/11/68/491031168.db2.gz POGUDJIPQGMWCA-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP CCC[NH2+]Cc1c[nH+]ccc1N(C)C 88114780 491033108 /nfs/dbraw/zinc/03/31/08/491033108.db2.gz UNXAXLRKRZVTCJ-UHFFFAOYSA-N 2 1 193.294 1.647 20 0 ADADMP CC(C)[NH2+]Cc1c[nH+]ccc1N(C)C 88114801 491033125 /nfs/dbraw/zinc/03/31/25/491033125.db2.gz RWDRJWOXZLYLPY-UHFFFAOYSA-N 2 1 193.294 1.646 20 0 ADADMP CC[NH2+]Cc1c[nH+]ccc1N(C)C 88114786 491033131 /nfs/dbraw/zinc/03/31/31/491033131.db2.gz LJYYAZCRSJCSDW-UHFFFAOYSA-N 2 1 179.267 1.257 20 0 ADADMP CCC(CC)C[NH2+][C@@H]1CCC[NH2+]C1 130236734 491033477 /nfs/dbraw/zinc/03/34/77/491033477.db2.gz WNJMDQCCSUXPRB-LLVKDONJSA-N 2 1 184.327 1.764 20 0 ADADMP CCC(CC)C[NH2+][C@H]1CCC[NH2+]C1 130236946 491033483 /nfs/dbraw/zinc/03/34/83/491033483.db2.gz WNJMDQCCSUXPRB-NSHDSACASA-N 2 1 184.327 1.764 20 0 ADADMP CCC(CC)C[NH2+][C@H](C[NH3+])C1CC1 130302713 491033565 /nfs/dbraw/zinc/03/35/65/491033565.db2.gz CDDVSRNLOBTJLR-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP CCC(CC)C[NH2+][C@@H](C[NH3+])C1CC1 130302507 491033584 /nfs/dbraw/zinc/03/35/84/491033584.db2.gz CDDVSRNLOBTJLR-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](c1ccncc1)[N@@H+](C)CCC[NH3+] 133213247 491037381 /nfs/dbraw/zinc/03/73/81/491037381.db2.gz JFGZJDIFYBZWPY-JTQLQIEISA-N 2 1 193.294 1.423 20 0 ADADMP C[C@H](c1cccnc1)[N@H+](C)CCC[NH3+] 133213020 491037384 /nfs/dbraw/zinc/03/73/84/491037384.db2.gz RYTJEOFQMJAJBN-SNVBAGLBSA-N 2 1 193.294 1.423 20 0 ADADMP C[C@H](c1cccnc1)[N@@H+](C)CCC[NH3+] 133213020 491037385 /nfs/dbraw/zinc/03/73/85/491037385.db2.gz RYTJEOFQMJAJBN-SNVBAGLBSA-N 2 1 193.294 1.423 20 0 ADADMP C[C@@H](c1ccccn1)[N@H+](C)CCC[NH3+] 133212400 491037417 /nfs/dbraw/zinc/03/74/17/491037417.db2.gz FFWJRDPUUCYGKF-JTQLQIEISA-N 2 1 193.294 1.423 20 0 ADADMP C[C@@H](c1ccccn1)[N@@H+](C)CCC[NH3+] 133212400 491037418 /nfs/dbraw/zinc/03/74/18/491037418.db2.gz FFWJRDPUUCYGKF-JTQLQIEISA-N 2 1 193.294 1.423 20 0 ADADMP C[C@H](c1ccncc1)[N@@H+](C)CCC[NH3+] 133213447 491037437 /nfs/dbraw/zinc/03/74/37/491037437.db2.gz JFGZJDIFYBZWPY-SNVBAGLBSA-N 2 1 193.294 1.423 20 0 ADADMP CC[C@H]1C[N@@H+](CCC[NH3+])CCS1 132946973 491037090 /nfs/dbraw/zinc/03/70/90/491037090.db2.gz WYRAFLFWNGYHMT-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP CC[C@@H]1C[N@@H+](CCC[NH3+])CCS1 132946779 491037103 /nfs/dbraw/zinc/03/71/03/491037103.db2.gz WYRAFLFWNGYHMT-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 132744498 491036794 /nfs/dbraw/zinc/03/67/94/491036794.db2.gz LZTXOVYKUJRFLF-DDHJBXDOSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H](c1ccccn1)[N@H+](C)CCC[NH3+] 133212593 491037319 /nfs/dbraw/zinc/03/73/19/491037319.db2.gz FFWJRDPUUCYGKF-SNVBAGLBSA-N 2 1 193.294 1.423 20 0 ADADMP C[C@H](c1ccccn1)[N@@H+](C)CCC[NH3+] 133212593 491037320 /nfs/dbraw/zinc/03/73/20/491037320.db2.gz FFWJRDPUUCYGKF-SNVBAGLBSA-N 2 1 193.294 1.423 20 0 ADADMP C[C@@H](c1cccnc1)[N@H+](C)CCC[NH3+] 133212820 491037331 /nfs/dbraw/zinc/03/73/31/491037331.db2.gz RYTJEOFQMJAJBN-JTQLQIEISA-N 2 1 193.294 1.423 20 0 ADADMP C[C@@H](c1cccnc1)[N@@H+](C)CCC[NH3+] 133212820 491037332 /nfs/dbraw/zinc/03/73/32/491037332.db2.gz RYTJEOFQMJAJBN-JTQLQIEISA-N 2 1 193.294 1.423 20 0 ADADMP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 221693040 491040474 /nfs/dbraw/zinc/04/04/74/491040474.db2.gz UBVDTPZYAAQEII-WDEREUQCSA-N 2 1 184.327 1.859 20 0 ADADMP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 221710785 491040555 /nfs/dbraw/zinc/04/05/55/491040555.db2.gz NREDAJMRNWTJNF-GARJFASQSA-N 2 1 184.327 1.857 20 0 ADADMP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 221710785 491040556 /nfs/dbraw/zinc/04/05/56/491040556.db2.gz NREDAJMRNWTJNF-GARJFASQSA-N 2 1 184.327 1.857 20 0 ADADMP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 221693095 491040595 /nfs/dbraw/zinc/04/05/95/491040595.db2.gz UBVDTPZYAAQEII-QWRGUYRKSA-N 2 1 184.327 1.859 20 0 ADADMP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 221710900 491040606 /nfs/dbraw/zinc/04/06/06/491040606.db2.gz NREDAJMRNWTJNF-DCAQKATOSA-N 2 1 184.327 1.857 20 0 ADADMP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 221710900 491040607 /nfs/dbraw/zinc/04/06/07/491040607.db2.gz NREDAJMRNWTJNF-DCAQKATOSA-N 2 1 184.327 1.857 20 0 ADADMP CC[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1[NH3+] 157895564 491039843 /nfs/dbraw/zinc/03/98/43/491039843.db2.gz OSTYIDDEJUWLPX-RYUDHWBXSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 157896184 491039848 /nfs/dbraw/zinc/03/98/48/491039848.db2.gz WVWDQIGKUMKKJG-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 157896049 491039853 /nfs/dbraw/zinc/03/98/53/491039853.db2.gz WVWDQIGKUMKKJG-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2(C)CC2)C1 226380141 491042653 /nfs/dbraw/zinc/04/26/53/491042653.db2.gz TZHJADSNFVHSQQ-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]CC2(C)CC2)C1 226380148 491042702 /nfs/dbraw/zinc/04/27/02/491042702.db2.gz TZHJADSNFVHSQQ-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]CC1(C)CC1 226377370 491042743 /nfs/dbraw/zinc/04/27/43/491042743.db2.gz KDBIIYYKTBPEDC-UHFFFAOYSA-N 2 1 193.294 1.581 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)C)[C@@H](C)C1 226857834 491043114 /nfs/dbraw/zinc/04/31/14/491043114.db2.gz ZYOZYGJUTHRMKD-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)C)[C@@H](C)C1 226857827 491043127 /nfs/dbraw/zinc/04/31/27/491043127.db2.gz ZYOZYGJUTHRMKD-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 306379882 491049721 /nfs/dbraw/zinc/04/97/21/491049721.db2.gz UUHGWPMDKYOPEH-LBPRGKRZSA-N 2 1 196.338 1.957 20 0 ADADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 306379879 491049736 /nfs/dbraw/zinc/04/97/36/491049736.db2.gz UUHGWPMDKYOPEH-GFCCVEGCSA-N 2 1 196.338 1.957 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556749 491053201 /nfs/dbraw/zinc/05/32/01/491053201.db2.gz LYTLGLSPXWKSSS-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556749 491053202 /nfs/dbraw/zinc/05/32/02/491053202.db2.gz LYTLGLSPXWKSSS-NOOOWODRSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556746 491053210 /nfs/dbraw/zinc/05/32/10/491053210.db2.gz LYTLGLSPXWKSSS-FIQHERPVSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556746 491053211 /nfs/dbraw/zinc/05/32/11/491053211.db2.gz LYTLGLSPXWKSSS-FIQHERPVSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556751 491053217 /nfs/dbraw/zinc/05/32/17/491053217.db2.gz LYTLGLSPXWKSSS-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556751 491053218 /nfs/dbraw/zinc/05/32/18/491053218.db2.gz LYTLGLSPXWKSSS-WRWGMCAJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556747 491053244 /nfs/dbraw/zinc/05/32/44/491053244.db2.gz LYTLGLSPXWKSSS-NNYUYHANSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 306556747 491053245 /nfs/dbraw/zinc/05/32/45/491053245.db2.gz LYTLGLSPXWKSSS-NNYUYHANSA-N 2 1 194.322 1.326 20 0 ADADMP CC1(C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 306723196 491055147 /nfs/dbraw/zinc/05/51/47/491055147.db2.gz RBXIGNBMHSQWMU-WDEREUQCSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)CC1 306723196 491055148 /nfs/dbraw/zinc/05/51/48/491055148.db2.gz RBXIGNBMHSQWMU-WDEREUQCSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])CCS1 307345127 491060969 /nfs/dbraw/zinc/06/09/69/491060969.db2.gz AEOAULCNEDCZQS-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC[NH3+])CCS1 307345125 491061056 /nfs/dbraw/zinc/06/10/56/491061056.db2.gz AEOAULCNEDCZQS-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]CC1CC1 308212290 491084641 /nfs/dbraw/zinc/08/46/41/491084641.db2.gz XBIYKEQADMWDDH-SNVBAGLBSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]CC1CC1 308212290 491084644 /nfs/dbraw/zinc/08/46/44/491084644.db2.gz XBIYKEQADMWDDH-SNVBAGLBSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]CC1CC1 308212289 491084695 /nfs/dbraw/zinc/08/46/95/491084695.db2.gz XBIYKEQADMWDDH-JTQLQIEISA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]CC1CC1 308212289 491084698 /nfs/dbraw/zinc/08/46/98/491084698.db2.gz XBIYKEQADMWDDH-JTQLQIEISA-N 2 1 184.327 1.715 20 0 ADADMP CC[N@@H+]1CC[C@H]([NH2+]CCF)[C@H](C)C1 308248603 491087984 /nfs/dbraw/zinc/08/79/84/491087984.db2.gz ZROPVZQJJWOLJB-ZJUUUORDSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CCF)[C@H](C)C1 308248603 491087987 /nfs/dbraw/zinc/08/79/87/491087987.db2.gz ZROPVZQJJWOLJB-ZJUUUORDSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@@H+]1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 308248602 491088007 /nfs/dbraw/zinc/08/80/07/491088007.db2.gz ZROPVZQJJWOLJB-VHSXEESVSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CCF)[C@@H](C)C1 308248602 491088010 /nfs/dbraw/zinc/08/80/10/491088010.db2.gz ZROPVZQJJWOLJB-VHSXEESVSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@@H+]1CC[C@H]([NH2+]CCF)[C@@H](C)C1 308248601 491088021 /nfs/dbraw/zinc/08/80/21/491088021.db2.gz ZROPVZQJJWOLJB-UWVGGRQHSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CCF)[C@@H](C)C1 308248601 491088024 /nfs/dbraw/zinc/08/80/24/491088024.db2.gz ZROPVZQJJWOLJB-UWVGGRQHSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@@H+]1CC[C@@H]([NH2+]CCF)[C@H](C)C1 308248600 491088159 /nfs/dbraw/zinc/08/81/59/491088159.db2.gz ZROPVZQJJWOLJB-NXEZZACHSA-N 2 1 188.290 1.276 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CCF)[C@H](C)C1 308248600 491088160 /nfs/dbraw/zinc/08/81/60/491088160.db2.gz ZROPVZQJJWOLJB-NXEZZACHSA-N 2 1 188.290 1.276 20 0 ADADMP CC(C)C[NH2+][C@H](C)C[N@H+](C)C(C)C 308323636 491097024 /nfs/dbraw/zinc/09/70/24/491097024.db2.gz DGKLYTYWIGVAHL-LLVKDONJSA-N 2 1 186.343 1.961 20 0 ADADMP CC(C)C[NH2+][C@H](C)C[N@@H+](C)C(C)C 308323636 491097025 /nfs/dbraw/zinc/09/70/25/491097025.db2.gz DGKLYTYWIGVAHL-LLVKDONJSA-N 2 1 186.343 1.961 20 0 ADADMP C[N@@H+]1CC=C(C[NH2+]CC2CC2)CC1 308368584 491099154 /nfs/dbraw/zinc/09/91/54/491099154.db2.gz PETJAMDVFCBIMN-UHFFFAOYSA-N 2 1 180.295 1.248 20 0 ADADMP CC[C@@H](C)[NH2+]CCc1c[nH+]cn1C 308410881 491102222 /nfs/dbraw/zinc/10/22/22/491102222.db2.gz LOQAUGLFILHSJA-SECBINFHSA-N 2 1 181.283 1.351 20 0 ADADMP CC[C@H](C)[NH2+]CCc1c[nH+]cn1C 308410882 491102339 /nfs/dbraw/zinc/10/23/39/491102339.db2.gz LOQAUGLFILHSJA-VIFPVBQESA-N 2 1 181.283 1.351 20 0 ADADMP C[N@@H+]1CC=C(C[NH2+]CC2(C)CC2)CC1 308509886 491109405 /nfs/dbraw/zinc/10/94/05/491109405.db2.gz KKGPJCXRHSROQP-UHFFFAOYSA-N 2 1 194.322 1.638 20 0 ADADMP CC(C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 308527046 491110376 /nfs/dbraw/zinc/11/03/76/491110376.db2.gz QWAHRIJBWBTYLB-LLVKDONJSA-N 2 1 196.338 1.882 20 0 ADADMP CC(C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 308527048 491110411 /nfs/dbraw/zinc/11/04/11/491110411.db2.gz QWAHRIJBWBTYLB-NSHDSACASA-N 2 1 196.338 1.882 20 0 ADADMP C[NH+]1CCC([NH2+]CCC2(C)CC2)CC1 308577152 491112436 /nfs/dbraw/zinc/11/24/36/491112436.db2.gz DXBVXFQAAGOZIR-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 308580842 491112757 /nfs/dbraw/zinc/11/27/57/491112757.db2.gz PBBQFTZPAHMYSZ-SECBINFHSA-N 2 1 193.294 1.351 20 0 ADADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 308580843 491112762 /nfs/dbraw/zinc/11/27/62/491112762.db2.gz PBBQFTZPAHMYSZ-VIFPVBQESA-N 2 1 193.294 1.351 20 0 ADADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 308668444 491116979 /nfs/dbraw/zinc/11/69/79/491116979.db2.gz UKDOYSOXXZKJKI-SNVBAGLBSA-N 2 1 194.322 1.636 20 0 ADADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 308668441 491116902 /nfs/dbraw/zinc/11/69/02/491116902.db2.gz UKDOYSOXXZKJKI-JTQLQIEISA-N 2 1 194.322 1.636 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1C 308722686 491118001 /nfs/dbraw/zinc/11/80/01/491118001.db2.gz FAEAAEZSOYFDGV-WOPDTQHZSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1C 308722686 491118002 /nfs/dbraw/zinc/11/80/02/491118002.db2.gz FAEAAEZSOYFDGV-WOPDTQHZSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1C 308722682 491118045 /nfs/dbraw/zinc/11/80/45/491118045.db2.gz FAEAAEZSOYFDGV-GRYCIOLGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1C 308722682 491118046 /nfs/dbraw/zinc/11/80/46/491118046.db2.gz FAEAAEZSOYFDGV-GRYCIOLGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H]1C[C@@H]1C 308722683 491118118 /nfs/dbraw/zinc/11/81/18/491118118.db2.gz FAEAAEZSOYFDGV-SDDRHHMPSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@@H]1C 308722683 491118119 /nfs/dbraw/zinc/11/81/19/491118119.db2.gz FAEAAEZSOYFDGV-SDDRHHMPSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1C 308722684 491118121 /nfs/dbraw/zinc/11/81/21/491118121.db2.gz FAEAAEZSOYFDGV-SRVKXCTJSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1C 308722684 491118122 /nfs/dbraw/zinc/11/81/22/491118122.db2.gz FAEAAEZSOYFDGV-SRVKXCTJSA-N 2 1 198.354 1.962 20 0 ADADMP CC[C@H](C)[NH2+]CCCn1cc[nH+]c1C 308760742 491118922 /nfs/dbraw/zinc/11/89/22/491118922.db2.gz XVPFDVPSXPPAHO-JTQLQIEISA-N 2 1 195.310 1.970 20 0 ADADMP CC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C 308760743 491118928 /nfs/dbraw/zinc/11/89/28/491118928.db2.gz XVPFDVPSXPPAHO-SNVBAGLBSA-N 2 1 195.310 1.970 20 0 ADADMP CC(C)CC[NH2+]CC[N@@H+]1CC[C@H](C)C1 53389553 1188769104 /nfs/dbraw/zinc/76/91/04/1188769104.db2.gz IWJKNGHFHLZXGU-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)CC[NH2+]CC[N@H+]1CC[C@H](C)C1 53389553 1188769108 /nfs/dbraw/zinc/76/91/08/1188769108.db2.gz IWJKNGHFHLZXGU-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CCCC[N@@H+](C)C[C@@H]([NH3+])CCOC 52810557 1188770030 /nfs/dbraw/zinc/77/00/30/1188770030.db2.gz LXCRZRRGNJSCRP-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CCCC[N@@H+](C)C[C@H]([NH3+])CCOC 52810556 1188770301 /nfs/dbraw/zinc/77/03/01/1188770301.db2.gz LXCRZRRGNJSCRP-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CC(C)CC[NH2+]CC[N@@H+]1CC[C@@H](C)C1 53389550 1188770570 /nfs/dbraw/zinc/77/05/70/1188770570.db2.gz IWJKNGHFHLZXGU-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)CC[NH2+]CC[N@H+]1CC[C@@H](C)C1 53389550 1188770575 /nfs/dbraw/zinc/77/05/75/1188770575.db2.gz IWJKNGHFHLZXGU-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H](C)[C@H](C)[N@@H+](C)CCC[NH3+] 227742231 1188788526 /nfs/dbraw/zinc/78/85/26/1188788526.db2.gz NDYKKDVZTWMCDV-ZJUUUORDSA-N 2 1 172.316 1.702 20 0 ADADMP CC[C@@H](C)[C@@H](C)[N@@H+](C)CCC[NH3+] 227742214 1188788679 /nfs/dbraw/zinc/78/86/79/1188788679.db2.gz NDYKKDVZTWMCDV-NXEZZACHSA-N 2 1 172.316 1.702 20 0 ADADMP CC[C@H](C)[C@@H](C)[N@@H+](C)CCC[NH3+] 227742224 1188788779 /nfs/dbraw/zinc/78/87/79/1188788779.db2.gz NDYKKDVZTWMCDV-VHSXEESVSA-N 2 1 172.316 1.702 20 0 ADADMP CC[C@H](C)[C@H](C)[N@@H+](C)CCC[NH3+] 227742237 1188789483 /nfs/dbraw/zinc/78/94/83/1188789483.db2.gz NDYKKDVZTWMCDV-UWVGGRQHSA-N 2 1 172.316 1.702 20 0 ADADMP CCCCCC[N@@H+]1CC[C@@H](N)C1 31996472 697618863 /nfs/dbraw/zinc/61/88/63/697618863.db2.gz XGZFRWRASVNGLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCCCCC[N@H+]1CC[C@@H](N)C1 31996472 697618865 /nfs/dbraw/zinc/61/88/65/697618865.db2.gz XGZFRWRASVNGLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 31996472 697618866 /nfs/dbraw/zinc/61/88/66/697618866.db2.gz XGZFRWRASVNGLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCCCCC[N@H+]1CC[C@@H]([NH3+])C1 31996472 697618868 /nfs/dbraw/zinc/61/88/68/697618868.db2.gz XGZFRWRASVNGLZ-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C[NH3+])C1 44527992 697620879 /nfs/dbraw/zinc/62/08/79/697620879.db2.gz DCOXNOKFFRPUOR-GHMZBOCLSA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 62861946 697624550 /nfs/dbraw/zinc/62/45/50/697624550.db2.gz NHIBSUARGQRCSZ-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 62861945 697624578 /nfs/dbraw/zinc/62/45/78/697624578.db2.gz NHIBSUARGQRCSZ-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H](CC[NH3+])C1 77271773 697626628 /nfs/dbraw/zinc/62/66/28/697626628.db2.gz JFLSINMPJKBGNF-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H](CC[NH3+])C1 77271781 697626742 /nfs/dbraw/zinc/62/67/42/697626742.db2.gz JFLSINMPJKBGNF-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](CC2CC2)C1 125522905 697639996 /nfs/dbraw/zinc/63/99/96/697639996.db2.gz VIIJYLRPWUGNGI-JTQLQIEISA-N 2 1 168.284 1.067 20 0 ADADMP C[NH2+][C@@H]1CCC[N@H+](CCCC2CC2)C1 157104531 697656809 /nfs/dbraw/zinc/65/68/09/697656809.db2.gz AZATVQZAZNGXDD-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1CCC[N@@H+](CCCC2CC2)C1 157104531 697656812 /nfs/dbraw/zinc/65/68/12/697656812.db2.gz AZATVQZAZNGXDD-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CCCC2CC2)C1 157035995 697656836 /nfs/dbraw/zinc/65/68/36/697656836.db2.gz GKWKSFLNZRBSAD-SNVBAGLBSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CC2)C1 157035995 697656840 /nfs/dbraw/zinc/65/68/40/697656840.db2.gz GKWKSFLNZRBSAD-SNVBAGLBSA-N 2 1 168.284 1.210 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC2CC2)C1 157038844 697656873 /nfs/dbraw/zinc/65/68/73/697656873.db2.gz OVQYPBWNJHMEKV-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CCCC2CC2)C1 157039188 697656941 /nfs/dbraw/zinc/65/69/41/697656941.db2.gz WZDCBMAJDMZNOY-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC2CC2)C1 157038985 697656949 /nfs/dbraw/zinc/65/69/49/697656949.db2.gz OVQYPBWNJHMEKV-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1[NH3+] 157030896 697657053 /nfs/dbraw/zinc/65/70/53/697657053.db2.gz SVOHYQVUGPLRGH-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CCCC2CC2)C1 157035856 697657069 /nfs/dbraw/zinc/65/70/69/697657069.db2.gz GKWKSFLNZRBSAD-JTQLQIEISA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CCCC2CC2)C1 157035856 697657071 /nfs/dbraw/zinc/65/70/71/697657071.db2.gz GKWKSFLNZRBSAD-JTQLQIEISA-N 2 1 168.284 1.210 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CC1 157036958 697657126 /nfs/dbraw/zinc/65/71/26/697657126.db2.gz UKIODDORFQZPLG-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C1C[NH2+]CC[N@@H+](CCCC2CC2)C1 157085060 697657139 /nfs/dbraw/zinc/65/71/39/697657139.db2.gz HTHAABYKQHAXDA-UHFFFAOYSA-N 2 1 182.311 1.472 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CC1 157036668 697657187 /nfs/dbraw/zinc/65/71/87/697657187.db2.gz UKIODDORFQZPLG-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@@H]1[NH3+] 157031033 697657238 /nfs/dbraw/zinc/65/72/38/697657238.db2.gz SVOHYQVUGPLRGH-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCC1CC1 157036812 697657296 /nfs/dbraw/zinc/65/72/96/697657296.db2.gz UKIODDORFQZPLG-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CCCC2CC2)C1 157039356 697657335 /nfs/dbraw/zinc/65/73/35/697657335.db2.gz WZDCBMAJDMZNOY-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+][C@H]1CCC[N@H+](CCCC2CC2)C1 157105159 697657370 /nfs/dbraw/zinc/65/73/70/697657370.db2.gz VMBLJSULXPRXTC-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+](CCCC2CC2)C1 157105159 697657375 /nfs/dbraw/zinc/65/73/75/697657375.db2.gz VMBLJSULXPRXTC-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCC1CC1 157037105 697657438 /nfs/dbraw/zinc/65/74/38/697657438.db2.gz UKIODDORFQZPLG-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](C/C=C/Cl)C1 157387995 697657869 /nfs/dbraw/zinc/65/78/69/697657869.db2.gz RVVZSHIKBLHPOO-WIYOPTIVSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C/Cl)C1 157387695 697657923 /nfs/dbraw/zinc/65/79/23/697657923.db2.gz RVVZSHIKBLHPOO-NGWLPCGSSA-N 2 1 188.702 1.408 20 0 ADADMP Cc1ccc(C)c(C[NH2+][C@@H](C)C[NH3+])c1 161977575 697667748 /nfs/dbraw/zinc/66/77/48/697667748.db2.gz IQFXHUGNQKIJAQ-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 161976268 697667884 /nfs/dbraw/zinc/66/78/84/697667884.db2.gz CKQZZEZYHQULDB-JTQLQIEISA-N 2 1 178.279 1.432 20 0 ADADMP Cc1cccc(C[NH2+][C@@H](C)C[NH3+])c1C 161977840 697667932 /nfs/dbraw/zinc/66/79/32/697667932.db2.gz MQKFHZGJCAFNHV-JTQLQIEISA-N 2 1 192.306 1.740 20 0 ADADMP C[NH+](C)[C@H](C[NH2+]C1CCCC1)C1CC1 163645344 697669278 /nfs/dbraw/zinc/66/92/78/697669278.db2.gz MALRDCJYAMJBCD-GFCCVEGCSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+](C)[C@@H](C[NH2+]C1CCCC1)C1CC1 163645241 697669440 /nfs/dbraw/zinc/66/94/40/697669440.db2.gz MALRDCJYAMJBCD-LBPRGKRZSA-N 2 1 196.338 1.859 20 0 ADADMP CCCC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 221403815 697686630 /nfs/dbraw/zinc/68/66/30/697686630.db2.gz BSYFIYAECHOEIP-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 221403815 697686633 /nfs/dbraw/zinc/68/66/33/697686633.db2.gz BSYFIYAECHOEIP-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 225139766 697688968 /nfs/dbraw/zinc/68/89/68/697688968.db2.gz ZLGGXSSNZKSTSJ-IJLUTSLNSA-N 2 1 196.338 1.894 20 0 ADADMP C1C[NH2+][C@@H](C[N@@H+]2C[C@H]3CCC[C@H]3C2)C1 227650207 697698101 /nfs/dbraw/zinc/69/81/01/697698101.db2.gz WFRBYJWQQRDKFW-GRYCIOLGSA-N 2 1 194.322 1.470 20 0 ADADMP C[N@@H+](C/C=C/Cl)CCC[NH3+] 227748546 697698129 /nfs/dbraw/zinc/69/81/29/697698129.db2.gz PYSVELSAAQYAJC-DUXPYHPUSA-N 2 1 162.664 1.020 20 0 ADADMP C[N@H+](C/C=C/Cl)CCC[NH3+] 227748546 697698131 /nfs/dbraw/zinc/69/81/31/697698131.db2.gz PYSVELSAAQYAJC-DUXPYHPUSA-N 2 1 162.664 1.020 20 0 ADADMP C1CC(CC[NH2+][C@H]2CC[NH2+]C2)C1 229079118 697700485 /nfs/dbraw/zinc/70/04/85/697700485.db2.gz DMYXTPSUVVXERV-JTQLQIEISA-N 2 1 168.284 1.128 20 0 ADADMP C1CC(CC[NH2+][C@@H]2CC[NH2+]C2)C1 229079107 697700708 /nfs/dbraw/zinc/70/07/08/697700708.db2.gz DMYXTPSUVVXERV-SNVBAGLBSA-N 2 1 168.284 1.128 20 0 ADADMP CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 234061663 697706037 /nfs/dbraw/zinc/70/60/37/697706037.db2.gz CRPNXXCAQASFGR-DCAQKATOSA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 233990024 697706177 /nfs/dbraw/zinc/70/61/77/697706177.db2.gz AWQHKKKGSUCVHD-XHNCKOQMSA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])C(C)C 234044156 697706220 /nfs/dbraw/zinc/70/62/20/697706220.db2.gz APKIRYIUHFVDAK-IUCAKERBSA-N 2 1 158.289 1.358 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccs1 235146060 697706861 /nfs/dbraw/zinc/70/68/61/697706861.db2.gz WTYCWDRAQDPMOU-YUMQZZPRSA-N 2 1 184.308 1.746 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H]1C 235148165 697706881 /nfs/dbraw/zinc/70/68/81/697706881.db2.gz NOSLWXAVDKWRHR-XHNCKOQMSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1C 235147699 697706984 /nfs/dbraw/zinc/70/69/84/697706984.db2.gz WGCCOLLBKPQBQI-LPEHRKFASA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 235149027 697707013 /nfs/dbraw/zinc/70/70/13/697707013.db2.gz ZKANSHMXNULVES-VPOLOUISSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C 235148067 697707048 /nfs/dbraw/zinc/70/70/48/697707048.db2.gz CIUSGMAPGBFAGF-VPOLOUISSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CCC1 235142748 697707072 /nfs/dbraw/zinc/70/70/72/697707072.db2.gz PFOCXWAWEOSQFB-YUMQZZPRSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC=CCC1 306777761 697733952 /nfs/dbraw/zinc/73/39/52/697733952.db2.gz NRBQRCRHPBSCOL-SRVKXCTJSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC=CCC1 306777760 697734103 /nfs/dbraw/zinc/73/41/03/697734103.db2.gz NRBQRCRHPBSCOL-SDDRHHMPSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC=CCC1 306777759 697734133 /nfs/dbraw/zinc/73/41/33/697734133.db2.gz NRBQRCRHPBSCOL-QJPTWQEYSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](C/C=C\Cl)C1 307925329 697753621 /nfs/dbraw/zinc/75/36/21/697753621.db2.gz RVVZSHIKBLHPOO-IVSKAITFSA-N 2 1 188.702 1.408 20 0 ADADMP C[N@H+](C[C@H]([NH3+])CC(F)F)C1CC1 308125005 697756824 /nfs/dbraw/zinc/75/68/24/697756824.db2.gz UQWFIQALRBQIED-ZCFIWIBFSA-N 2 1 178.226 1.063 20 0 ADADMP C[N@@H+](C[C@H]([NH3+])CC(F)F)C1CC1 308125005 697756826 /nfs/dbraw/zinc/75/68/26/697756826.db2.gz UQWFIQALRBQIED-ZCFIWIBFSA-N 2 1 178.226 1.063 20 0 ADADMP C[N@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 308125004 697756875 /nfs/dbraw/zinc/75/68/75/697756875.db2.gz UQWFIQALRBQIED-LURJTMIESA-N 2 1 178.226 1.063 20 0 ADADMP C[N@@H+](C[C@@H]([NH3+])CC(F)F)C1CC1 308125004 697756878 /nfs/dbraw/zinc/75/68/78/697756878.db2.gz UQWFIQALRBQIED-LURJTMIESA-N 2 1 178.226 1.063 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1C/C=C\Cl 379315781 697809838 /nfs/dbraw/zinc/80/98/38/697809838.db2.gz UUBKWOZOBYNRKC-HVSMVGKISA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C/C=C\Cl 379315780 697810018 /nfs/dbraw/zinc/81/00/18/697810018.db2.gz UUBKWOZOBYNRKC-BNEREYBLSA-N 2 1 188.702 1.408 20 0 ADADMP CC[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F 379319544 697813132 /nfs/dbraw/zinc/81/31/32/697813132.db2.gz RCEJECDZAROJHC-NKWVEPMBSA-N 2 1 180.242 1.357 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F 379319545 697813266 /nfs/dbraw/zinc/81/32/66/697813266.db2.gz RCEJECDZAROJHC-RNFRBKRXSA-N 2 1 180.242 1.357 20 0 ADADMP CC[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F 379319543 697813389 /nfs/dbraw/zinc/81/33/89/697813389.db2.gz RCEJECDZAROJHC-BQBZGAKWSA-N 2 1 180.242 1.357 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F 379319546 697813443 /nfs/dbraw/zinc/81/34/43/697813443.db2.gz RCEJECDZAROJHC-RQJHMYQMSA-N 2 1 180.242 1.357 20 0 ADADMP C[C@]1(C[NH3+])CC[N@H+](C/C=C\Cl)C1 379323072 697815941 /nfs/dbraw/zinc/81/59/41/697815941.db2.gz NRBYCVCZMSEVSL-FIFYQCSRSA-N 2 1 188.702 1.410 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](C/C=C\Cl)C1 379323072 697815945 /nfs/dbraw/zinc/81/59/45/697815945.db2.gz NRBYCVCZMSEVSL-FIFYQCSRSA-N 2 1 188.702 1.410 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@H+](C/C=C\Cl)C1 379323073 697816212 /nfs/dbraw/zinc/81/62/12/697816212.db2.gz NRBYCVCZMSEVSL-MDHMXLOGSA-N 2 1 188.702 1.410 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C\Cl)C1 379323073 697816215 /nfs/dbraw/zinc/81/62/15/697816215.db2.gz NRBYCVCZMSEVSL-MDHMXLOGSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+][C@H](C[NH2+]CCC1CC1)CC(F)F 379342748 697832656 /nfs/dbraw/zinc/83/26/56/697832656.db2.gz GUOVXYYRJMXUOV-QMMMGPOBSA-N 2 1 192.253 1.359 20 0 ADADMP [NH3+][C@@H](C[NH2+]CCC1CC1)CC(F)F 379342747 697832701 /nfs/dbraw/zinc/83/27/01/697832701.db2.gz GUOVXYYRJMXUOV-MRVPVSSYSA-N 2 1 192.253 1.359 20 0 ADADMP [NH3+][C@H](C[NH2+]C1CCCC1)CC(F)F 379354881 697836558 /nfs/dbraw/zinc/83/65/58/697836558.db2.gz JUNPQVJOESRTCJ-ZETCQYMHSA-N 2 1 192.253 1.501 20 0 ADADMP [NH3+][C@@H](C[NH2+]C1CCCC1)CC(F)F 379354880 697836644 /nfs/dbraw/zinc/83/66/44/697836644.db2.gz JUNPQVJOESRTCJ-SSDOTTSWSA-N 2 1 192.253 1.501 20 0 ADADMP CC[NH2+]Cc1ncc(C[NH+](C)C)s1 379420189 697895708 /nfs/dbraw/zinc/89/57/08/697895708.db2.gz ZWGZQBJPWNCOMA-UHFFFAOYSA-N 2 1 199.323 1.314 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC2(CCCC2)C1 379510872 697897723 /nfs/dbraw/zinc/89/77/23/697897723.db2.gz RNBXGWWEFRDQNP-UHFFFAOYSA-N 2 1 196.338 1.862 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H]1C 379537434 697898650 /nfs/dbraw/zinc/89/86/50/697898650.db2.gz MJSSRSIWSULPLZ-KOLCDFICSA-N 2 1 193.294 1.580 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H]1C 379537432 697898873 /nfs/dbraw/zinc/89/88/73/697898873.db2.gz MJSSRSIWSULPLZ-GXSJLCMTSA-N 2 1 193.294 1.580 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H]1C 379537436 697898923 /nfs/dbraw/zinc/89/89/23/697898923.db2.gz MJSSRSIWSULPLZ-ONGXEEELSA-N 2 1 193.294 1.580 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H]1C 379537435 697899069 /nfs/dbraw/zinc/89/90/69/697899069.db2.gz MJSSRSIWSULPLZ-MWLCHTKSSA-N 2 1 193.294 1.580 20 0 ADADMP CC[N@H+](CC[NH2+]C[C@H]1C[C@@H]1C)C(C)C 379589014 697902461 /nfs/dbraw/zinc/90/24/61/697902461.db2.gz UTPPIMXMPJZEJV-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](CC[NH2+]C[C@H]1C[C@@H]1C)C(C)C 379589014 697902465 /nfs/dbraw/zinc/90/24/65/697902465.db2.gz UTPPIMXMPJZEJV-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+](CC[NH2+]C[C@@H]1C[C@@H]1C)C(C)C 379589015 697902616 /nfs/dbraw/zinc/90/26/16/697902616.db2.gz UTPPIMXMPJZEJV-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@@H]1C)C(C)C 379589015 697902618 /nfs/dbraw/zinc/90/26/18/697902618.db2.gz UTPPIMXMPJZEJV-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+](CC[NH2+]C[C@H]1C[C@H]1C)C(C)C 379589016 697902680 /nfs/dbraw/zinc/90/26/80/697902680.db2.gz UTPPIMXMPJZEJV-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](CC[NH2+]C[C@H]1C[C@H]1C)C(C)C 379589016 697902684 /nfs/dbraw/zinc/90/26/84/697902684.db2.gz UTPPIMXMPJZEJV-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+](CC[NH2+]C[C@@H]1C[C@H]1C)C(C)C 379589013 697902723 /nfs/dbraw/zinc/90/27/23/697902723.db2.gz UTPPIMXMPJZEJV-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](CC[NH2+]C[C@@H]1C[C@H]1C)C(C)C 379589013 697902725 /nfs/dbraw/zinc/90/27/25/697902725.db2.gz UTPPIMXMPJZEJV-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 379600540 697904278 /nfs/dbraw/zinc/90/42/78/697904278.db2.gz KYXWDZAWLVZHHE-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])C1CCCCC1 381911642 697915975 /nfs/dbraw/zinc/91/59/75/697915975.db2.gz GWJKEBGSARBZLF-NSHDSACASA-N 2 1 184.327 1.894 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])C1CCCCC1 381911641 697916186 /nfs/dbraw/zinc/91/61/86/697916186.db2.gz GWJKEBGSARBZLF-LLVKDONJSA-N 2 1 184.327 1.894 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 382780885 697925171 /nfs/dbraw/zinc/92/51/71/697925171.db2.gz GNGBFADNPCCEEM-ONGXEEELSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)OCCC[N@H+](C)C[C@H](C)[NH3+] 382831720 697925228 /nfs/dbraw/zinc/92/52/28/697925228.db2.gz BOXHZPANDIXNKM-JTQLQIEISA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@@H+](C)C[C@H](C)[NH3+] 382831720 697925231 /nfs/dbraw/zinc/92/52/31/697925231.db2.gz BOXHZPANDIXNKM-JTQLQIEISA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@H+](C)C[C@@H](C)[NH3+] 382831722 697925275 /nfs/dbraw/zinc/92/52/75/697925275.db2.gz BOXHZPANDIXNKM-SNVBAGLBSA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@@H+](C)C[C@@H](C)[NH3+] 382831722 697925277 /nfs/dbraw/zinc/92/52/77/697925277.db2.gz BOXHZPANDIXNKM-SNVBAGLBSA-N 2 1 188.315 1.081 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCCC1 382780882 697925436 /nfs/dbraw/zinc/92/54/36/697925436.db2.gz GNGBFADNPCCEEM-GXSJLCMTSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H]1CCC[C@@H](C[NH2+][C@@H](C)C[NH3+])C1 383196278 697926718 /nfs/dbraw/zinc/92/67/18/697926718.db2.gz XWCRLMXDYBDKDM-GARJFASQSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CCC[C@H](C[NH2+][C@@H](C)C[NH3+])C1 383196277 697926946 /nfs/dbraw/zinc/92/69/46/697926946.db2.gz XWCRLMXDYBDKDM-DCAQKATOSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)C 384651242 697930158 /nfs/dbraw/zinc/93/01/58/697930158.db2.gz MZQPFDLUERSEQY-BDAKNGLRSA-N 2 1 172.316 1.748 20 0 ADADMP C[C@@H](CC(C)(C)C)[NH2+][C@H](C)C[NH3+] 384651243 697930307 /nfs/dbraw/zinc/93/03/07/697930307.db2.gz MZQPFDLUERSEQY-DTWKUNHWSA-N 2 1 172.316 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)CC(C)(C)C 384651245 697930369 /nfs/dbraw/zinc/93/03/69/697930369.db2.gz MZQPFDLUERSEQY-RKDXNWHRSA-N 2 1 172.316 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(C)(C)C 384651244 697930415 /nfs/dbraw/zinc/93/04/15/697930415.db2.gz MZQPFDLUERSEQY-IUCAKERBSA-N 2 1 172.316 1.748 20 0 ADADMP CCCCCC[N@@H+](C)C1CC([NH3+])C1 384798179 697930802 /nfs/dbraw/zinc/93/08/02/697930802.db2.gz XEXOELKDNBWEQV-UHFFFAOYSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 385040099 697933447 /nfs/dbraw/zinc/93/34/47/697933447.db2.gz FTSYZHSSOZJZPI-MNOVXSKESA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 385040099 697933452 /nfs/dbraw/zinc/93/34/52/697933452.db2.gz FTSYZHSSOZJZPI-MNOVXSKESA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 385040101 697933471 /nfs/dbraw/zinc/93/34/71/697933471.db2.gz FTSYZHSSOZJZPI-WDEREUQCSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 385040101 697933476 /nfs/dbraw/zinc/93/34/76/697933476.db2.gz FTSYZHSSOZJZPI-WDEREUQCSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 385040098 697933595 /nfs/dbraw/zinc/93/35/95/697933595.db2.gz FTSYZHSSOZJZPI-GHMZBOCLSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 385040098 697933600 /nfs/dbraw/zinc/93/36/00/697933600.db2.gz FTSYZHSSOZJZPI-GHMZBOCLSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 385040100 697933685 /nfs/dbraw/zinc/93/36/85/697933685.db2.gz FTSYZHSSOZJZPI-QWRGUYRKSA-N 2 1 184.327 1.988 20 0 ADADMP CCCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 385040100 697933690 /nfs/dbraw/zinc/93/36/90/697933690.db2.gz FTSYZHSSOZJZPI-QWRGUYRKSA-N 2 1 184.327 1.988 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385378265 697934359 /nfs/dbraw/zinc/93/43/59/697934359.db2.gz NCZHNFFWUGPSCJ-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385408726 697934200 /nfs/dbraw/zinc/93/42/00/697934200.db2.gz YMQVQICFYJNKLI-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 385408726 697934205 /nfs/dbraw/zinc/93/42/05/697934205.db2.gz YMQVQICFYJNKLI-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H]([NH2+]C)C1 387658840 697938245 /nfs/dbraw/zinc/93/82/45/697938245.db2.gz GRGNTHFTFXHAIH-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH2+]C)C1 387658840 697938250 /nfs/dbraw/zinc/93/82/50/697938250.db2.gz GRGNTHFTFXHAIH-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@](C)(C[NH3+])C(C)C 387670433 697938299 /nfs/dbraw/zinc/93/82/99/697938299.db2.gz LMBANPSOCWQMEJ-WOPDTQHZSA-N 2 1 198.354 1.996 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@](C)(C[NH3+])C(C)C 387670426 697938359 /nfs/dbraw/zinc/93/83/59/697938359.db2.gz LMBANPSOCWQMEJ-GRYCIOLGSA-N 2 1 198.354 1.996 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H]([NH2+]C)C1 387658843 697938378 /nfs/dbraw/zinc/93/83/78/697938378.db2.gz GRGNTHFTFXHAIH-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH2+]C)C1 387658843 697938379 /nfs/dbraw/zinc/93/83/79/697938379.db2.gz GRGNTHFTFXHAIH-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH3+])C1 387811590 697938887 /nfs/dbraw/zinc/93/88/87/697938887.db2.gz KDJCZWQSYALDAB-AXFHLTTASA-N 2 1 182.311 1.313 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]([NH2+]C)C1 387776065 697938902 /nfs/dbraw/zinc/93/89/02/697938902.db2.gz CLHDMJOFEWAPRV-VWYCJHECSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH2+]C)C1 387776065 697938906 /nfs/dbraw/zinc/93/89/06/697938906.db2.gz CLHDMJOFEWAPRV-VWYCJHECSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH2+]C)C1 387850190 697938950 /nfs/dbraw/zinc/93/89/50/697938950.db2.gz RSBWPFCDQUTDEP-UTUOFQBUSA-N 2 1 196.338 1.574 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]([NH2+]C)C1 387776062 697939085 /nfs/dbraw/zinc/93/90/85/697939085.db2.gz CLHDMJOFEWAPRV-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH2+]C)C1 387776062 697939090 /nfs/dbraw/zinc/93/90/90/697939090.db2.gz CLHDMJOFEWAPRV-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](C[NH2+]C)C1 387850177 697939187 /nfs/dbraw/zinc/93/91/87/697939187.db2.gz RSBWPFCDQUTDEP-TUAOUCFPSA-N 2 1 196.338 1.574 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](C[NH3+])C1 387811644 697939275 /nfs/dbraw/zinc/93/92/75/697939275.db2.gz KDJCZWQSYALDAB-MXWKQRLJSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C/C=C\Cl 387983572 697940100 /nfs/dbraw/zinc/94/01/00/697940100.db2.gz SAUBQWNXBRQOFT-HWTYGCMBSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C/C=C\Cl 387983572 697940106 /nfs/dbraw/zinc/94/01/06/697940106.db2.gz SAUBQWNXBRQOFT-HWTYGCMBSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C/C=C\Cl 387983573 697940240 /nfs/dbraw/zinc/94/02/40/697940240.db2.gz SAUBQWNXBRQOFT-SJLHTBIVSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C/C=C\Cl 387983573 697940243 /nfs/dbraw/zinc/94/02/43/697940243.db2.gz SAUBQWNXBRQOFT-SJLHTBIVSA-N 2 1 188.702 1.551 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH3+] 388846450 697999782 /nfs/dbraw/zinc/99/97/82/697999782.db2.gz ZOEXQZSCWCHPJB-IVZWLZJFSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 388846446 697999889 /nfs/dbraw/zinc/99/98/89/697999889.db2.gz ZOEXQZSCWCHPJB-AEJSXWLSSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F 388900216 698002211 /nfs/dbraw/zinc/00/22/11/698002211.db2.gz NGOBTBSYFOXXSE-HTQZYQBOSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F 388900216 698002216 /nfs/dbraw/zinc/00/22/16/698002216.db2.gz NGOBTBSYFOXXSE-HTQZYQBOSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F 388900222 698002339 /nfs/dbraw/zinc/00/23/39/698002339.db2.gz NGOBTBSYFOXXSE-SFYZADRCSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F 388900222 698002343 /nfs/dbraw/zinc/00/23/43/698002343.db2.gz NGOBTBSYFOXXSE-SFYZADRCSA-N 2 1 192.253 1.453 20 0 ADADMP C[C@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C 389264973 698006302 /nfs/dbraw/zinc/00/63/02/698006302.db2.gz JDMOJNKEKQXNPT-ONGXEEELSA-N 2 1 193.294 1.351 20 0 ADADMP C[C@@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C 389264972 698006495 /nfs/dbraw/zinc/00/64/95/698006495.db2.gz JDMOJNKEKQXNPT-MWLCHTKSSA-N 2 1 193.294 1.351 20 0 ADADMP C[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH+]cn1C 389264971 698006530 /nfs/dbraw/zinc/00/65/30/698006530.db2.gz JDMOJNKEKQXNPT-KOLCDFICSA-N 2 1 193.294 1.351 20 0 ADADMP C[C@H]1CC[C@H]1[NH2+]CCc1c[nH+]cn1C 389264970 698006737 /nfs/dbraw/zinc/00/67/37/698006737.db2.gz JDMOJNKEKQXNPT-GXSJLCMTSA-N 2 1 193.294 1.351 20 0 ADADMP CCCC[NH2+]CCCn1cc[nH+]c1C 389368306 698009710 /nfs/dbraw/zinc/00/97/10/698009710.db2.gz WKBSXHXWTZPCEO-UHFFFAOYSA-N 2 1 195.310 1.971 20 0 ADADMP CCCC[NH2+]CC1=CC[N@@H+](C)CC1 392212530 698013299 /nfs/dbraw/zinc/01/32/99/698013299.db2.gz SJNJXMUFKXKPML-UHFFFAOYSA-N 2 1 182.311 1.638 20 0 ADADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 393677730 698020859 /nfs/dbraw/zinc/02/08/59/698020859.db2.gz JALFFARWJNMTJM-SDDRHHMPSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 393677730 698020863 /nfs/dbraw/zinc/02/08/63/698020863.db2.gz JALFFARWJNMTJM-SDDRHHMPSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 393677732 698020984 /nfs/dbraw/zinc/02/09/84/698020984.db2.gz JALFFARWJNMTJM-WOPDTQHZSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H]1C 393677732 698020989 /nfs/dbraw/zinc/02/09/89/698020989.db2.gz JALFFARWJNMTJM-WOPDTQHZSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 393677731 698021139 /nfs/dbraw/zinc/02/11/39/698021139.db2.gz JALFFARWJNMTJM-SRVKXCTJSA-N 2 1 198.354 1.961 20 0 ADADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 393677731 698021141 /nfs/dbraw/zinc/02/11/41/698021141.db2.gz JALFFARWJNMTJM-SRVKXCTJSA-N 2 1 198.354 1.961 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCC1CC1 394488215 698030533 /nfs/dbraw/zinc/03/05/33/698030533.db2.gz XLOHMAZVSBYXBE-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+]1CCCC1CC1 394488215 698030539 /nfs/dbraw/zinc/03/05/39/698030539.db2.gz XLOHMAZVSBYXBE-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CCCC2CC2)C1 394448846 698030668 /nfs/dbraw/zinc/03/06/68/698030668.db2.gz GNJYPVHBMAGZEY-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C[N@@H+](CCC[NH3+])CCCC1CC1 394462637 698030683 /nfs/dbraw/zinc/03/06/83/698030683.db2.gz WEVHQLOIRMDAED-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP C(CC1CC1)C[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 394470428 698030709 /nfs/dbraw/zinc/03/07/09/698030709.db2.gz MHTZSZIVQIWAQY-TXEJJXNPSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CCCC2CC2)C1 394448847 698030768 /nfs/dbraw/zinc/03/07/68/698030768.db2.gz GNJYPVHBMAGZEY-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCCC1CC1 394430511 698030848 /nfs/dbraw/zinc/03/08/48/698030848.db2.gz DUEKYZBSSVGUQG-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1[NH3+] 394449486 698030943 /nfs/dbraw/zinc/03/09/43/698030943.db2.gz OFXOOCMONNULGB-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCCC1CC1 394483028 698030986 /nfs/dbraw/zinc/03/09/86/698030986.db2.gz UOOBDPSVKQOING-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP C[N@@H+](CCCC1CC1)C1CC([NH3+])C1 394495289 698031031 /nfs/dbraw/zinc/03/10/31/698031031.db2.gz NFJBZUYCDFUTFK-UHFFFAOYSA-N 2 1 182.311 1.598 20 0 ADADMP C[N@H+](CC[NH3+])CCCC1CC1 394481910 698031047 /nfs/dbraw/zinc/03/10/47/698031047.db2.gz LTFXWXYDRZALRD-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[N@@H+](CC[NH3+])CCCC1CC1 394481910 698031049 /nfs/dbraw/zinc/03/10/49/698031049.db2.gz LTFXWXYDRZALRD-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C(CC1CC1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 394502778 698031147 /nfs/dbraw/zinc/03/11/47/698031147.db2.gz RQFUFEGYWWZUES-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP C(CC1CC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 394502778 698031151 /nfs/dbraw/zinc/03/11/51/698031151.db2.gz RQFUFEGYWWZUES-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+]1CCCC1CC1 394501081 698031166 /nfs/dbraw/zinc/03/11/66/698031166.db2.gz NKEJCPMZJHNMRF-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CCCC1CC1 394501081 698031169 /nfs/dbraw/zinc/03/11/69/698031169.db2.gz NKEJCPMZJHNMRF-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCC1CC1 394501083 698031182 /nfs/dbraw/zinc/03/11/82/698031182.db2.gz NKEJCPMZJHNMRF-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCCC1CC1 394501083 698031186 /nfs/dbraw/zinc/03/11/86/698031186.db2.gz NKEJCPMZJHNMRF-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CC2)C1 394536370 698031515 /nfs/dbraw/zinc/03/15/15/698031515.db2.gz UMODZMVVBIZPAI-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](CCCC2CC2)C1 394529126 698031525 /nfs/dbraw/zinc/03/15/25/698031525.db2.gz PEDZMVQKSMSRAI-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CC2)C1 394536378 698031612 /nfs/dbraw/zinc/03/16/12/698031612.db2.gz UMODZMVVBIZPAI-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCC2CC2)C1 394536375 698031680 /nfs/dbraw/zinc/03/16/80/698031680.db2.gz UMODZMVVBIZPAI-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCC2CC2)C1 394529127 698031760 /nfs/dbraw/zinc/03/17/60/698031760.db2.gz PEDZMVQKSMSRAI-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCC2CC2)C1 394536367 698031811 /nfs/dbraw/zinc/03/18/11/698031811.db2.gz UMODZMVVBIZPAI-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395356297 698034251 /nfs/dbraw/zinc/03/42/51/698034251.db2.gz HLZHQZITLAYHMF-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395356297 698034254 /nfs/dbraw/zinc/03/42/54/698034254.db2.gz HLZHQZITLAYHMF-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395402042 698034541 /nfs/dbraw/zinc/03/45/41/698034541.db2.gz XWPCDEHGHVVICM-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 395402042 698034545 /nfs/dbraw/zinc/03/45/45/698034545.db2.gz XWPCDEHGHVVICM-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CCC1 396563015 698036292 /nfs/dbraw/zinc/03/62/92/698036292.db2.gz KUCJSFVHJVDYFP-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CCC1 396563017 698036532 /nfs/dbraw/zinc/03/65/32/698036532.db2.gz KUCJSFVHJVDYFP-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CCC1 396563014 698036574 /nfs/dbraw/zinc/03/65/74/698036574.db2.gz KUCJSFVHJVDYFP-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CCC1 396563019 698036649 /nfs/dbraw/zinc/03/66/49/698036649.db2.gz KUCJSFVHJVDYFP-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC1 396566810 698036827 /nfs/dbraw/zinc/03/68/27/698036827.db2.gz MFKSADGXGSKNFC-JFGNBEQYSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 396566808 698036846 /nfs/dbraw/zinc/03/68/46/698036846.db2.gz MFKSADGXGSKNFC-FOGDFJRCSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 396566807 698036868 /nfs/dbraw/zinc/03/68/68/698036868.db2.gz MFKSADGXGSKNFC-CKYFFXLPSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC1 396566812 698036943 /nfs/dbraw/zinc/03/69/43/698036943.db2.gz MFKSADGXGSKNFC-SCVCMEIPSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC1 396659531 698037145 /nfs/dbraw/zinc/03/71/45/698037145.db2.gz XGIBRCXAJCHPLB-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCC1CC1 396659533 698037154 /nfs/dbraw/zinc/03/71/54/698037154.db2.gz XGIBRCXAJCHPLB-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)CC[NH2+][C@H]1CCC[NH2+][C@H]1C 396656563 698037169 /nfs/dbraw/zinc/03/71/69/698037169.db2.gz VXQKXQJHZQFNGA-QWRGUYRKSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC1 396659534 698037206 /nfs/dbraw/zinc/03/72/06/698037206.db2.gz XGIBRCXAJCHPLB-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP CCCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396718215 698037282 /nfs/dbraw/zinc/03/72/82/698037282.db2.gz PAYFZJYZZTVCEI-UWVGGRQHSA-N 2 1 170.300 1.517 20 0 ADADMP CSCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396709486 698037309 /nfs/dbraw/zinc/03/73/09/698037309.db2.gz LJDQWZNSSOPEIJ-BDAKNGLRSA-N 2 1 188.340 1.080 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCF 396718300 698037328 /nfs/dbraw/zinc/03/73/28/698037328.db2.gz PGTDHBGAYSEYHK-BDAKNGLRSA-N 2 1 174.263 1.076 20 0 ADADMP CCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396718218 698037352 /nfs/dbraw/zinc/03/73/52/698037352.db2.gz PAYFZJYZZTVCEI-ZJUUUORDSA-N 2 1 170.300 1.517 20 0 ADADMP CSCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396709487 698037365 /nfs/dbraw/zinc/03/73/65/698037365.db2.gz LJDQWZNSSOPEIJ-DTWKUNHWSA-N 2 1 188.340 1.080 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C 396688081 698037422 /nfs/dbraw/zinc/03/74/22/698037422.db2.gz ZEICESKJADAGPN-WYUUTHIRSA-N 2 1 196.338 1.763 20 0 ADADMP CCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396718217 698037433 /nfs/dbraw/zinc/03/74/33/698037433.db2.gz PAYFZJYZZTVCEI-VHSXEESVSA-N 2 1 170.300 1.517 20 0 ADADMP CSCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396709489 698037477 /nfs/dbraw/zinc/03/74/77/698037477.db2.gz LJDQWZNSSOPEIJ-IUCAKERBSA-N 2 1 188.340 1.080 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC1CC1 396659532 698037502 /nfs/dbraw/zinc/03/75/02/698037502.db2.gz XGIBRCXAJCHPLB-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396656558 698037523 /nfs/dbraw/zinc/03/75/23/698037523.db2.gz VXQKXQJHZQFNGA-GHMZBOCLSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@H]1C 396688079 698037592 /nfs/dbraw/zinc/03/75/92/698037592.db2.gz ZEICESKJADAGPN-WHOHXGKFSA-N 2 1 196.338 1.763 20 0 ADADMP CSCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396709491 698037655 /nfs/dbraw/zinc/03/76/55/698037655.db2.gz LJDQWZNSSOPEIJ-RKDXNWHRSA-N 2 1 188.340 1.080 20 0 ADADMP CC(C)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396656560 698037685 /nfs/dbraw/zinc/03/76/85/698037685.db2.gz VXQKXQJHZQFNGA-MNOVXSKESA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396688080 698037601 /nfs/dbraw/zinc/03/76/01/698037601.db2.gz ZEICESKJADAGPN-WISYIIOYSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCF 396718303 698037696 /nfs/dbraw/zinc/03/76/96/698037696.db2.gz PGTDHBGAYSEYHK-RKDXNWHRSA-N 2 1 174.263 1.076 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCF 396718302 698037750 /nfs/dbraw/zinc/03/77/50/698037750.db2.gz PGTDHBGAYSEYHK-IUCAKERBSA-N 2 1 174.263 1.076 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[NH2+][C@H]1C 396688078 698037760 /nfs/dbraw/zinc/03/77/60/698037760.db2.gz ZEICESKJADAGPN-USZNOCQGSA-N 2 1 196.338 1.763 20 0 ADADMP CCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396718214 698037870 /nfs/dbraw/zinc/03/78/70/698037870.db2.gz PAYFZJYZZTVCEI-NXEZZACHSA-N 2 1 170.300 1.517 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCF 396718301 698037878 /nfs/dbraw/zinc/03/78/78/698037878.db2.gz PGTDHBGAYSEYHK-DTWKUNHWSA-N 2 1 174.263 1.076 20 0 ADADMP CC(C)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396656565 698037908 /nfs/dbraw/zinc/03/79/08/698037908.db2.gz VXQKXQJHZQFNGA-WDEREUQCSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CCC1CC1 398049497 698040653 /nfs/dbraw/zinc/04/06/53/698040653.db2.gz CRCPVJNPVDLJLT-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](CCC1CC1)[NH2+]CC1([NH3+])CC1 398136107 698040735 /nfs/dbraw/zinc/04/07/35/698040735.db2.gz MKHICOXUCJJOLQ-SECBINFHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+]CC1([NH3+])CC1 398136110 698040793 /nfs/dbraw/zinc/04/07/93/698040793.db2.gz MKHICOXUCJJOLQ-VIFPVBQESA-N 2 1 182.311 1.646 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CCC1CC1 398049501 698040940 /nfs/dbraw/zinc/04/09/40/698040940.db2.gz CRCPVJNPVDLJLT-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](CCC2CCC2)C1 398711480 698042145 /nfs/dbraw/zinc/04/21/45/698042145.db2.gz MUMOWUOCBUGEOX-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC2CCC2)C1 398711482 698042521 /nfs/dbraw/zinc/04/25/21/698042521.db2.gz MUMOWUOCBUGEOX-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC2CCC2)C1 398810960 698042878 /nfs/dbraw/zinc/04/28/78/698042878.db2.gz PFLVRNRAGGCOIE-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](CCC2CCC2)C1 398810962 698043213 /nfs/dbraw/zinc/04/32/13/698043213.db2.gz PFLVRNRAGGCOIE-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C)CC1CCCC1 712510493 698059054 /nfs/dbraw/zinc/05/90/54/698059054.db2.gz ZLRNJFCXAZZCDB-ZJUUUORDSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)CC1CCCC1 712510492 698059092 /nfs/dbraw/zinc/05/90/92/698059092.db2.gz ZLRNJFCXAZZCDB-UWVGGRQHSA-N 2 1 184.327 1.892 20 0 ADADMP C=C/C=C/CC[N@H+](C)CC(C)(C)[NH3+] 713756942 698060120 /nfs/dbraw/zinc/06/01/20/698060120.db2.gz XCORCPJEAMMJSA-VOTSOKGWSA-N 2 1 182.311 1.788 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC=CC1 717387189 698062626 /nfs/dbraw/zinc/06/26/26/698062626.db2.gz LWWOUGWOWROWFI-CMPLNLGQSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC=CC1 717387192 698063012 /nfs/dbraw/zinc/06/30/12/698063012.db2.gz LWWOUGWOWROWFI-JQWIXIFHSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC=CC1 717387199 698063238 /nfs/dbraw/zinc/06/32/38/698063238.db2.gz LWWOUGWOWROWFI-ZYHUDNBSSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC=CC1 717387196 698063264 /nfs/dbraw/zinc/06/32/64/698063264.db2.gz LWWOUGWOWROWFI-PWSUYJOCSA-N 2 1 194.322 1.683 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 723104313 698072231 /nfs/dbraw/zinc/07/22/31/698072231.db2.gz VPFGAEUPOFJFTE-WYUUTHIRSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 723104313 698072234 /nfs/dbraw/zinc/07/22/34/698072234.db2.gz VPFGAEUPOFJFTE-WYUUTHIRSA-N 2 1 194.322 1.326 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 723055461 698072292 /nfs/dbraw/zinc/07/22/92/698072292.db2.gz IEXULBWJNSJIGG-VLEAKVRGSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 723055461 698072294 /nfs/dbraw/zinc/07/22/94/698072294.db2.gz IEXULBWJNSJIGG-VLEAKVRGSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 723055462 698072305 /nfs/dbraw/zinc/07/23/05/698072305.db2.gz IEXULBWJNSJIGG-ZNSHCXBVSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 723055462 698072308 /nfs/dbraw/zinc/07/23/08/698072308.db2.gz IEXULBWJNSJIGG-ZNSHCXBVSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 723055464 698072326 /nfs/dbraw/zinc/07/23/26/698072326.db2.gz IEXULBWJNSJIGG-ZRUFSTJUSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 723055464 698072328 /nfs/dbraw/zinc/07/23/28/698072328.db2.gz IEXULBWJNSJIGG-ZRUFSTJUSA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 723055460 698072438 /nfs/dbraw/zinc/07/24/38/698072438.db2.gz IEXULBWJNSJIGG-CHWFTXMASA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1C[C@H]([NH3+])C[C@H]1C 723055460 698072443 /nfs/dbraw/zinc/07/24/43/698072443.db2.gz IEXULBWJNSJIGG-CHWFTXMASA-N 2 1 182.311 1.454 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 723118117 698072973 /nfs/dbraw/zinc/07/29/73/698072973.db2.gz MKORDHVYKBTFBP-KKOKHZNYSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 723118118 698073107 /nfs/dbraw/zinc/07/31/07/698073107.db2.gz MKORDHVYKBTFBP-QCNOEVLYSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 723118119 698073419 /nfs/dbraw/zinc/07/34/19/698073419.db2.gz MKORDHVYKBTFBP-USZNOCQGSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 723118120 698073588 /nfs/dbraw/zinc/07/35/88/698073588.db2.gz MKORDHVYKBTFBP-WYUUTHIRSA-N 2 1 196.338 1.702 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2CC=CC2)C1 723702205 698073770 /nfs/dbraw/zinc/07/37/70/698073770.db2.gz HEACEEVUTRBXGS-GFCCVEGCSA-N 2 1 194.322 1.623 20 0 ADADMP CC1(C[N@H+]2CC[C@H](CC[NH3+])C2)CC1 723683636 698074111 /nfs/dbraw/zinc/07/41/11/698074111.db2.gz RWBZKEKTZXOVOH-JTQLQIEISA-N 2 1 182.311 1.457 20 0 ADADMP CC1(C[N@H+]2CC[C@@H](CC[NH3+])C2)CC1 723683637 698074139 /nfs/dbraw/zinc/07/41/39/698074139.db2.gz RWBZKEKTZXOVOH-SNVBAGLBSA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]CC[C@H]1CC[N@@H+](CC2CC=CC2)C1 723702208 698074225 /nfs/dbraw/zinc/07/42/25/698074225.db2.gz HEACEEVUTRBXGS-LBPRGKRZSA-N 2 1 194.322 1.623 20 0 ADADMP C[C@@H]1C[N@@H+](CCCF)C[C@H]1CC[NH3+] 723882577 698074398 /nfs/dbraw/zinc/07/43/98/698074398.db2.gz JSSAYACAOKPJOK-NXEZZACHSA-N 2 1 188.290 1.263 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 723782142 698074599 /nfs/dbraw/zinc/07/45/99/698074599.db2.gz KIOQQRUFYTXVTA-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CC[NH3+] 723882789 698074845 /nfs/dbraw/zinc/07/48/45/698074845.db2.gz KYKCSHBTLLPYRH-MWLCHTKSSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C1CCCC1)C1CC1 723958240 698075215 /nfs/dbraw/zinc/07/52/15/698075215.db2.gz FTVSFCIPIPGOJF-JOYOIKCWSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C1CCCC1)C1CC1 723958239 698075546 /nfs/dbraw/zinc/07/55/46/698075546.db2.gz FTVSFCIPIPGOJF-CABZTGNLSA-N 2 1 196.338 1.892 20 0 ADADMP CCC[N@@H+](C)CC1CC[NH+](C)CC1 729265650 698081502 /nfs/dbraw/zinc/08/15/02/698081502.db2.gz REKPWPRRAPZDSG-UHFFFAOYSA-N 2 1 184.327 1.670 20 0 ADADMP CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 799176806 698099750 /nfs/dbraw/zinc/09/97/50/698099750.db2.gz FQKRBPWKUCTRJV-UHFFFAOYSA-N 2 1 196.338 1.814 20 0 ADADMP C[C@@H]([NH2+][C@@H]1C=CCC1)[C@H]1CCCC[NH2+]1 854221607 698129189 /nfs/dbraw/zinc/12/91/89/698129189.db2.gz QBJNZTXHNQKRGY-IJLUTSLNSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]([NH2+][C@@H]1C=CCC1)[C@H]1CCC[NH2+]1 854221761 698129219 /nfs/dbraw/zinc/12/92/19/698129219.db2.gz UWAGIZNJHTWEMG-GMTAPVOTSA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]([NH2+][C@H]1C=CCC1)[C@H]1CCC[NH2+]1 854221763 698129279 /nfs/dbraw/zinc/12/92/79/698129279.db2.gz UWAGIZNJHTWEMG-OUAUKWLOSA-N 2 1 180.295 1.435 20 0 ADADMP CC[C@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221332 698129294 /nfs/dbraw/zinc/12/92/94/698129294.db2.gz KNACFQNJZAUDJN-SRVKXCTJSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221762 698129345 /nfs/dbraw/zinc/12/93/45/698129345.db2.gz UWAGIZNJHTWEMG-MXWKQRLJSA-N 2 1 180.295 1.435 20 0 ADADMP CC[C@@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221333 698129350 /nfs/dbraw/zinc/12/93/50/698129350.db2.gz KNACFQNJZAUDJN-TUAOUCFPSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221764 698129361 /nfs/dbraw/zinc/12/93/61/698129361.db2.gz UWAGIZNJHTWEMG-VWYCJHECSA-N 2 1 180.295 1.435 20 0 ADADMP CC[C@@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221334 698129409 /nfs/dbraw/zinc/12/94/09/698129409.db2.gz KNACFQNJZAUDJN-UTUOFQBUSA-N 2 1 194.322 1.825 20 0 ADADMP CC[C@H]([NH2+][C@@H]1C=CCC1)[C@@H]1CCC[NH2+]1 854221335 698129427 /nfs/dbraw/zinc/12/94/27/698129427.db2.gz KNACFQNJZAUDJN-WOPDTQHZSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]([NH2+][C@H]1C=CCC1)[C@H]1CCCC[NH2+]1 854221606 698129510 /nfs/dbraw/zinc/12/95/10/698129510.db2.gz QBJNZTXHNQKRGY-GRYCIOLGSA-N 2 1 194.322 1.825 20 0 ADADMP C[C@@H]([NH2+][C@H]1C=CCC1)[C@@H]1CCCC[NH2+]1 854221609 698129515 /nfs/dbraw/zinc/12/95/15/698129515.db2.gz QBJNZTXHNQKRGY-WOPDTQHZSA-N 2 1 194.322 1.825 20 0 ADADMP Cc1cccc(N2CCN(C)CC2)n1 11112 132177413 /nfs/dbraw/zinc/17/74/13/132177413.db2.gz VYZPEWUEPPGXGA-UHFFFAOYSA-N 2 1 191.278 1.142 20 0 ADADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 252092889 133424341 /nfs/dbraw/zinc/42/43/41/133424341.db2.gz DYIGXFKJBRPINY-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CCC2)CC[N@@H+]1C 156083243 136415034 /nfs/dbraw/zinc/41/50/34/136415034.db2.gz UHLXQEQVXGABIE-ONGXEEELSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CCC2)CC[N@H+]1C 156083243 136415036 /nfs/dbraw/zinc/41/50/36/136415036.db2.gz UHLXQEQVXGABIE-ONGXEEELSA-N 2 1 182.311 1.611 20 0 ADADMP CC(C)[NH2+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C 20523791 343074375 /nfs/dbraw/zinc/07/43/75/343074375.db2.gz PORGCSBAJZUBHY-FGWVZKOKSA-N 2 1 182.311 1.610 20 0 ADADMP C[N@@H+]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 34370467 343117890 /nfs/dbraw/zinc/11/78/90/343117890.db2.gz UADZBVXKQFURSB-UWVGGRQHSA-N 2 1 168.284 1.223 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC2CC2)[C@H](C)C[N@H+]1C 36907496 343153836 /nfs/dbraw/zinc/15/38/36/343153836.db2.gz KFKLWVPTFCIDTN-SCVCMEIPSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CC2)[C@H](C)C[N@H+]1C 36907418 343154007 /nfs/dbraw/zinc/15/40/07/343154007.db2.gz OBSZKLARRAHWGA-WCABBAIRSA-N 2 1 182.311 1.467 20 0 ADADMP CC1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 37242079 343163809 /nfs/dbraw/zinc/16/38/09/343163809.db2.gz HATVPLVUTQKPEI-YVNMAJEFSA-N 2 1 182.311 1.598 20 0 ADADMP CC1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 37242079 343163810 /nfs/dbraw/zinc/16/38/10/343163810.db2.gz HATVPLVUTQKPEI-YVNMAJEFSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36996983 343157360 /nfs/dbraw/zinc/15/73/60/343157360.db2.gz LKCSAZGEXCJBMU-GHMZBOCLSA-N 2 1 182.311 1.611 20 0 ADADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCC1 37092906 343159162 /nfs/dbraw/zinc/15/91/62/343159162.db2.gz RPVFVTYGBUCQNC-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 37242081 343163835 /nfs/dbraw/zinc/16/38/35/343163835.db2.gz HATVPLVUTQKPEI-HSOILSAZSA-N 2 1 182.311 1.598 20 0 ADADMP CC1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 37242081 343163836 /nfs/dbraw/zinc/16/38/36/343163836.db2.gz HATVPLVUTQKPEI-HSOILSAZSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 37911093 343180547 /nfs/dbraw/zinc/18/05/47/343180547.db2.gz BHNMUGHFPFXLPP-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 43324167 343251517 /nfs/dbraw/zinc/25/15/17/343251517.db2.gz JRMBYNLECXKERJ-HTAVTVPLSA-N 2 1 196.338 1.907 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC2)C1 44532728 343267285 /nfs/dbraw/zinc/26/72/85/343267285.db2.gz PVZIBAGATWTEJZ-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527959 343267296 /nfs/dbraw/zinc/26/72/96/343267296.db2.gz OAIRRWZBVQCCNI-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCC1CC[NH+](C[C@H](C)[NH3+])CC1 44383211 343264806 /nfs/dbraw/zinc/26/48/06/343264806.db2.gz IMOKVQZWKSMQAE-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 50228001 343280249 /nfs/dbraw/zinc/28/02/49/343280249.db2.gz MNFIPDFEZQSIKU-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 50228001 343280250 /nfs/dbraw/zinc/28/02/50/343280250.db2.gz MNFIPDFEZQSIKU-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CCc1[nH+]ccn1C[C@@H]1CC[NH2+]C1 51890460 343295403 /nfs/dbraw/zinc/29/54/03/343295403.db2.gz ZMQXTOJXZIWDRS-SECBINFHSA-N 2 1 179.267 1.055 20 0 ADADMP CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 51889521 343295428 /nfs/dbraw/zinc/29/54/28/343295428.db2.gz DQMDUFARHNIDPY-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP Cc1[nH+]cn(C[C@@H]2CCC[NH2+]C2)c1C 51927087 343296043 /nfs/dbraw/zinc/29/60/43/343296043.db2.gz UDZIRHSUVQRWOF-LLVKDONJSA-N 2 1 193.294 1.500 20 0 ADADMP Cc1[nH+]cn(C[C@@H]2CC[NH2+]C2)c1C 51927076 343296294 /nfs/dbraw/zinc/29/62/94/343296294.db2.gz BEOSRSOCNSOAFW-SNVBAGLBSA-N 2 1 179.267 1.109 20 0 ADADMP CCC[N@@H+]1CCC[C@H]([NH2+]C)C1 53201335 343313302 /nfs/dbraw/zinc/31/33/02/343313302.db2.gz DBEZDAPZCZPILE-VIFPVBQESA-N 2 1 156.273 1.080 20 0 ADADMP CCC[N@H+]1CCC[C@H]([NH2+]C)C1 53201335 343313303 /nfs/dbraw/zinc/31/33/03/343313303.db2.gz DBEZDAPZCZPILE-VIFPVBQESA-N 2 1 156.273 1.080 20 0 ADADMP C[N@@H+](CC1CC1)C1CCC([NH3+])CC1 55144432 343334229 /nfs/dbraw/zinc/33/42/29/343334229.db2.gz VFYQRMWMQCEKPU-UHFFFAOYSA-N 2 1 182.311 1.598 20 0 ADADMP C[N@@H+](CC1CCC1)C1CCC([NH3+])CC1 61458228 343356623 /nfs/dbraw/zinc/35/66/23/343356623.db2.gz MUPDMEACUGWTRT-UHFFFAOYSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 62862161 343383708 /nfs/dbraw/zinc/38/37/08/343383708.db2.gz LUAIRHUGZCHBGQ-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 70584690 343497103 /nfs/dbraw/zinc/49/71/03/343497103.db2.gz VRZSQILTDKWTEB-JTQLQIEISA-N 2 1 184.327 1.857 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC1 73653681 343571123 /nfs/dbraw/zinc/57/11/23/343571123.db2.gz CBIAWVRUMWBSMT-WPRPVWTQSA-N 2 1 168.284 1.079 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC1 73653681 343571124 /nfs/dbraw/zinc/57/11/24/343571124.db2.gz CBIAWVRUMWBSMT-WPRPVWTQSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 73655461 343571136 /nfs/dbraw/zinc/57/11/36/343571136.db2.gz XKXRYMYKRACCEF-NXEZZACHSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 73655461 343571137 /nfs/dbraw/zinc/57/11/37/343571137.db2.gz XKXRYMYKRACCEF-NXEZZACHSA-N 2 1 170.300 1.467 20 0 ADADMP C[C@H]1CC[C@@H](C)C[N@@H+]1CCC[NH3+] 84045084 343630127 /nfs/dbraw/zinc/63/01/27/343630127.db2.gz CRGBWCVNBGYLBQ-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@@H+](CCC[NH3+])C1 84045096 343630133 /nfs/dbraw/zinc/63/01/33/343630133.db2.gz CRGBWCVNBGYLBQ-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)C[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282126 343642148 /nfs/dbraw/zinc/64/21/48/343642148.db2.gz PNOASXMBUSUWAR-SDDRHHMPSA-N 2 1 196.338 1.572 20 0 ADADMP CC(C)C[N@@H+](C)C1CC([NH3+])C1 87653196 343662661 /nfs/dbraw/zinc/66/26/61/343662661.db2.gz OUHWUEQKDYNYSW-UHFFFAOYSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC2CC2)CC[N@H+]1C 90721139 343676943 /nfs/dbraw/zinc/67/69/43/343676943.db2.gz ZROIFOZZDNNRTO-GXSJLCMTSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CC[N@H+]1C 90721141 343676961 /nfs/dbraw/zinc/67/69/61/343676961.db2.gz ZROIFOZZDNNRTO-KOLCDFICSA-N 2 1 182.311 1.469 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CC2CCCCCC2)C1 91363173 343677446 /nfs/dbraw/zinc/67/74/46/343677446.db2.gz NBYAUZUYZUOBMA-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CC2CCCCCC2)C1 91363173 343677447 /nfs/dbraw/zinc/67/74/47/343677447.db2.gz NBYAUZUYZUOBMA-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C 101601057 343723952 /nfs/dbraw/zinc/72/39/52/343723952.db2.gz LDYUEKKZBOXMCU-HBNTYKKESA-N 2 1 184.327 1.713 20 0 ADADMP C[C@H](N)C[N@H+]1CCC[C@@H]1C(C)(C)C 108297374 343751794 /nfs/dbraw/zinc/75/17/94/343751794.db2.gz UKULXQNPBZMUKP-VHSXEESVSA-N 2 1 184.327 1.844 20 0 ADADMP CC[C@H]1CCCCC[N@H+]1C[C@@H](C)N 108297388 343751799 /nfs/dbraw/zinc/75/17/99/343751799.db2.gz AHRKOWUCLPNNEQ-MNOVXSKESA-N 2 1 184.327 1.988 20 0 ADADMP C[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CCC1 127561314 343814068 /nfs/dbraw/zinc/81/40/68/343814068.db2.gz HQQFYKGDFYLPGL-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH+]1CCC([NH2+][C@@H]2C=CCCC2)CC1 130692042 343873336 /nfs/dbraw/zinc/87/33/36/343873336.db2.gz KZHPDIYKNYASBT-LLVKDONJSA-N 2 1 194.322 1.779 20 0 ADADMP C(C[NH2+]C(C1CC1)C1CC1)[NH2+]C1CC1 49237965 166046910 /nfs/dbraw/zinc/04/69/10/166046910.db2.gz MTHJCJUANHFYDO-UHFFFAOYSA-N 2 1 194.322 1.517 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 306617624 166082878 /nfs/dbraw/zinc/08/28/78/166082878.db2.gz QYQJFHHYUGOXCR-VXGBXAGGSA-N 2 1 194.322 1.328 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 306617622 166083062 /nfs/dbraw/zinc/08/30/62/166083062.db2.gz QYQJFHHYUGOXCR-NWDGAFQWSA-N 2 1 194.322 1.328 20 0 ADADMP C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 250654812 166083371 /nfs/dbraw/zinc/08/33/71/166083371.db2.gz NNJGFYLYRLLXED-RYUDHWBXSA-N 2 1 194.322 1.755 20 0 ADADMP C1CC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 306148270 166083386 /nfs/dbraw/zinc/08/33/86/166083386.db2.gz AOIIBJKCXUUETP-LBPRGKRZSA-N 2 1 194.322 1.472 20 0 ADADMP C1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 44481645 166084107 /nfs/dbraw/zinc/08/41/07/166084107.db2.gz AQXIXYSCBWIBEI-UHFFFAOYSA-N 2 1 194.322 1.755 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 306617623 166084247 /nfs/dbraw/zinc/08/42/47/166084247.db2.gz QYQJFHHYUGOXCR-RYUDHWBXSA-N 2 1 194.322 1.328 20 0 ADADMP C1CC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 306148269 166084269 /nfs/dbraw/zinc/08/42/69/166084269.db2.gz AOIIBJKCXUUETP-GFCCVEGCSA-N 2 1 194.322 1.472 20 0 ADADMP C1CC(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307385374 166084343 /nfs/dbraw/zinc/08/43/43/166084343.db2.gz KKTWNMQKRDBQDW-MNOVXSKESA-N 2 1 180.295 1.080 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 307385374 166084344 /nfs/dbraw/zinc/08/43/44/166084344.db2.gz KKTWNMQKRDBQDW-MNOVXSKESA-N 2 1 180.295 1.080 20 0 ADADMP C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 250654810 166084410 /nfs/dbraw/zinc/08/44/10/166084410.db2.gz NNJGFYLYRLLXED-NEPJUHHUSA-N 2 1 194.322 1.755 20 0 ADADMP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 335498267 166085167 /nfs/dbraw/zinc/08/51/67/166085167.db2.gz IDPHOLXBRTXHMK-UWVGGRQHSA-N 2 1 180.295 1.271 20 0 ADADMP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 335498266 166085276 /nfs/dbraw/zinc/08/52/76/166085276.db2.gz IDPHOLXBRTXHMK-NXEZZACHSA-N 2 1 180.295 1.271 20 0 ADADMP C1CC2(CC[NH2+]1)CC[N@H+](CC1CC1)C2 211342982 166085302 /nfs/dbraw/zinc/08/53/02/166085302.db2.gz YQVVNJVHWBXWQL-UHFFFAOYSA-N 2 1 194.322 1.472 20 0 ADADMP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 335498268 166085785 /nfs/dbraw/zinc/08/57/85/166085785.db2.gz IDPHOLXBRTXHMK-VHSXEESVSA-N 2 1 180.295 1.271 20 0 ADADMP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 335498269 166085936 /nfs/dbraw/zinc/08/59/36/166085936.db2.gz IDPHOLXBRTXHMK-ZJUUUORDSA-N 2 1 180.295 1.271 20 0 ADADMP C1CCC([NH2+][C@@H]2CCC[NH2+]C2)C1 43323709 166087087 /nfs/dbraw/zinc/08/70/87/166087087.db2.gz YTVURROPEQUERR-SNVBAGLBSA-N 2 1 168.284 1.271 20 0 ADADMP C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 43323668 166087100 /nfs/dbraw/zinc/08/71/00/166087100.db2.gz KSUOEMWCSXAAEK-NSHDSACASA-N 2 1 182.311 1.661 20 0 ADADMP C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 43323667 166087158 /nfs/dbraw/zinc/08/71/58/166087158.db2.gz KSUOEMWCSXAAEK-LLVKDONJSA-N 2 1 182.311 1.661 20 0 ADADMP C1CCC(CC[N@H+]2CCC[NH2+]CC2)C1 49660628 166087310 /nfs/dbraw/zinc/08/73/10/166087310.db2.gz KZURYLDOJGNYPY-UHFFFAOYSA-N 2 1 196.338 1.862 20 0 ADADMP C1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 43325401 166087674 /nfs/dbraw/zinc/08/76/74/166087674.db2.gz WBJPEJRFAALDFX-GFCCVEGCSA-N 2 1 196.338 1.908 20 0 ADADMP C1CCC([NH2+][C@H]2CCC[NH2+]C2)C1 43323711 166087911 /nfs/dbraw/zinc/08/79/11/166087911.db2.gz YTVURROPEQUERR-JTQLQIEISA-N 2 1 168.284 1.271 20 0 ADADMP C1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 43325403 166088595 /nfs/dbraw/zinc/08/85/95/166088595.db2.gz WBJPEJRFAALDFX-LBPRGKRZSA-N 2 1 196.338 1.908 20 0 ADADMP C1CCC2(C1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C1 335009161 166089174 /nfs/dbraw/zinc/08/91/74/166089174.db2.gz MFOMPVSTOCUWOJ-WDEREUQCSA-N 2 1 194.322 1.661 20 0 ADADMP C1CCC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 335009159 166090013 /nfs/dbraw/zinc/09/00/13/166090013.db2.gz MFOMPVSTOCUWOJ-MNOVXSKESA-N 2 1 194.322 1.661 20 0 ADADMP C1CCC2(C1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 335009160 166090300 /nfs/dbraw/zinc/09/03/00/166090300.db2.gz MFOMPVSTOCUWOJ-QWRGUYRKSA-N 2 1 194.322 1.661 20 0 ADADMP C1CCC2(C1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 335009158 166090354 /nfs/dbraw/zinc/09/03/54/166090354.db2.gz MFOMPVSTOCUWOJ-GHMZBOCLSA-N 2 1 194.322 1.661 20 0 ADADMP C1CC[C@@H](C[NH2+]CC2CC2)[NH2+]C1 40409422 166090863 /nfs/dbraw/zinc/09/08/63/166090863.db2.gz IMNDGIWMLKDMDD-JTQLQIEISA-N 2 1 168.284 1.128 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC1 132862303 343906214 /nfs/dbraw/zinc/90/62/14/343906214.db2.gz RQQAZFVMHCYUAT-PWSUYJOCSA-N 2 1 196.338 1.716 20 0 ADADMP C1CC[C@@H](C[NH2+]C2CCC2)[NH2+]C1 52212298 166091300 /nfs/dbraw/zinc/09/13/00/166091300.db2.gz YOHLISNGAAFDNS-JTQLQIEISA-N 2 1 168.284 1.271 20 0 ADADMP C1CC[C@@H](C[NH2+]C2CCCC2)[NH2+]C1 40408788 166092617 /nfs/dbraw/zinc/09/26/17/166092617.db2.gz BLYMSQPPVRFLNB-NSHDSACASA-N 2 1 182.311 1.661 20 0 ADADMP C1CC[C@H](C[NH2+]C2CCCC2)[NH2+]C1 40408792 166093501 /nfs/dbraw/zinc/09/35/01/166093501.db2.gz BLYMSQPPVRFLNB-LLVKDONJSA-N 2 1 182.311 1.661 20 0 ADADMP C1CC[C@H](C[NH2+]C2CCC2)[NH2+]C1 52212301 166093668 /nfs/dbraw/zinc/09/36/68/166093668.db2.gz YOHLISNGAAFDNS-SNVBAGLBSA-N 2 1 168.284 1.271 20 0 ADADMP C1CC[C@H](C[NH2+]CC2CC2)[NH2+]C1 40409426 166093850 /nfs/dbraw/zinc/09/38/50/166093850.db2.gz IMNDGIWMLKDMDD-SNVBAGLBSA-N 2 1 168.284 1.128 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@H]2CCC23CCC3)C1 335181350 166096926 /nfs/dbraw/zinc/09/69/26/166096926.db2.gz OWXBCAUAQZUSBM-MNOVXSKESA-N 2 1 194.322 1.661 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CCC23CCC3)C1 335181349 166097627 /nfs/dbraw/zinc/09/76/27/166097627.db2.gz OWXBCAUAQZUSBM-GHMZBOCLSA-N 2 1 194.322 1.661 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+]C(C2CC2)C2CC2)C1 43324740 166098477 /nfs/dbraw/zinc/09/84/77/166098477.db2.gz LWNNPRQNMAABAL-LLVKDONJSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC1 132862506 343906239 /nfs/dbraw/zinc/90/62/39/343906239.db2.gz RQQAZFVMHCYUAT-JQWIXIFHSA-N 2 1 196.338 1.716 20 0 ADADMP C1C[C@H]2CC[NH2+]C[C@@H](C1)[N@H+]2C1CC1 38343402 166105873 /nfs/dbraw/zinc/10/58/73/166105873.db2.gz WNGLXRHWIDDNOC-GXSJLCMTSA-N 2 1 180.295 1.365 20 0 ADADMP C1C[C@H]2CC[NH2+]C[C@@H](C1)[N@H+]2CC1CC1 38343404 166106793 /nfs/dbraw/zinc/10/67/93/166106793.db2.gz RKWLVTSEEVCDIO-NWDGAFQWSA-N 2 1 194.322 1.613 20 0 ADADMP C1C[C@@H]2C[C@H]([NH2+]CC3CC3)CC[N@H+]2C1 112341299 166106843 /nfs/dbraw/zinc/10/68/43/166106843.db2.gz RDXBQAAXYUKBPG-VXGBXAGGSA-N 2 1 194.322 1.613 20 0 ADADMP C1C[C@@]2(CC[N@H+](CC3CC3)C2)C[NH2+]1 31994426 166106873 /nfs/dbraw/zinc/10/68/73/166106873.db2.gz KTOCZCAITXLSKD-LLVKDONJSA-N 2 1 180.295 1.082 20 0 ADADMP C1C[C@@H]2C[C@H]([NH2+]C3CC3)CC[N@H+]2C1 107412733 166107726 /nfs/dbraw/zinc/10/77/26/166107726.db2.gz GWIAZVUEMJANQA-GHMZBOCLSA-N 2 1 180.295 1.365 20 0 ADADMP C1C[C@]2(CC[N@H+](CC3CC3)C2)C[NH2+]1 31994429 166108580 /nfs/dbraw/zinc/10/85/80/166108580.db2.gz KTOCZCAITXLSKD-NSHDSACASA-N 2 1 180.295 1.082 20 0 ADADMP C1C[C@H]2C[C@@H]([NH2+]C3CC3)CC[N@H+]2C1 107412739 166109518 /nfs/dbraw/zinc/10/95/18/166109518.db2.gz GWIAZVUEMJANQA-QWRGUYRKSA-N 2 1 180.295 1.365 20 0 ADADMP C1C[C@H]2C[C@@H]([NH2+]CC3CC3)CC[N@H+]2C1 112341306 166109770 /nfs/dbraw/zinc/10/97/70/166109770.db2.gz RDXBQAAXYUKBPG-RYUDHWBXSA-N 2 1 194.322 1.613 20 0 ADADMP C1C[C@H]2C[C@H]([NH2+]C3CC3)CC[N@H+]2C1 107412735 166110211 /nfs/dbraw/zinc/11/02/11/166110211.db2.gz GWIAZVUEMJANQA-MNOVXSKESA-N 2 1 180.295 1.365 20 0 ADADMP C1C[C@H]2C[C@H]([NH2+]CC3CC3)CC[N@H+]2C1 112341301 166110328 /nfs/dbraw/zinc/11/03/28/166110328.db2.gz RDXBQAAXYUKBPG-NEPJUHHUSA-N 2 1 194.322 1.613 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 306617621 166082600 /nfs/dbraw/zinc/08/26/00/166082600.db2.gz QYQJFHHYUGOXCR-NEPJUHHUSA-N 2 1 194.322 1.328 20 0 ADADMP CC(C)(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 306835820 166350296 /nfs/dbraw/zinc/35/02/96/166350296.db2.gz SYBZJGXCLLNDGP-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)(C)CC[N@H+]1CCCNCC1 37399806 166351265 /nfs/dbraw/zinc/35/12/65/166351265.db2.gz CKPQTLWHDUILLE-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CC(C)(C)CCN1CCC[NH2+]CC1 37399806 166351269 /nfs/dbraw/zinc/35/12/69/166351269.db2.gz CKPQTLWHDUILLE-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CC(C)(C)CC[N@H+]1CC[C@@H](N)C1 50243783 166351592 /nfs/dbraw/zinc/35/15/92/166351592.db2.gz ZXTHSGUWSJRWRO-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)(C)CC[N@H+]1CC[C@@H]([NH3+])C1 50243783 166351598 /nfs/dbraw/zinc/35/15/98/166351598.db2.gz ZXTHSGUWSJRWRO-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)(C)CC[N@H+]1CC[C@H](N)C1 50243782 166351770 /nfs/dbraw/zinc/35/17/70/166351770.db2.gz ZXTHSGUWSJRWRO-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)(C)CC[N@H+]1CC[C@H]([NH3+])C1 50243782 166351773 /nfs/dbraw/zinc/35/17/73/166351773.db2.gz ZXTHSGUWSJRWRO-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)(C)C[NH2+]C[C@@H]1CCCC[NH2+]1 40494944 166352873 /nfs/dbraw/zinc/35/28/73/166352873.db2.gz VLNVSAVXHUSZGF-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)(C)C[NH2+]C[C@H]1CCCC[NH2+]1 40494945 166353776 /nfs/dbraw/zinc/35/37/76/166353776.db2.gz VLNVSAVXHUSZGF-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CC(C)(C)C[NH2+][C@H]1CCC[NH2+]C1 43327435 166354731 /nfs/dbraw/zinc/35/47/31/166354731.db2.gz HSXSSCUJZUJQRI-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]C1 43327434 166354762 /nfs/dbraw/zinc/35/47/62/166354762.db2.gz HSXSSCUJZUJQRI-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP CC(C)(C)[NH2+]C[C@@H]1CCCC[NH2+]1 40398074 166366022 /nfs/dbraw/zinc/36/60/22/166366022.db2.gz SETGEOGAIGAPNH-VIFPVBQESA-N 2 1 170.300 1.517 20 0 ADADMP CC(C)(C)c1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 76091419 166388496 /nfs/dbraw/zinc/38/84/96/166388496.db2.gz QUWNKUMRBJFDMX-SSDOTTSWSA-N 2 1 193.294 1.523 20 0 ADADMP CC(C)(C)c1[nH]c2c([nH+]1)CC[C@H]([NH3+])C2 76091421 166390406 /nfs/dbraw/zinc/39/04/06/166390406.db2.gz QUWNKUMRBJFDMX-ZETCQYMHSA-N 2 1 193.294 1.523 20 0 ADADMP CC(C)C1([NH2+]C2CC[NH+](C)CC2)CC1 306739260 166430897 /nfs/dbraw/zinc/43/08/97/166430897.db2.gz ASPVSDLOEDDYOZ-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)c1[nH+]ccn1C[C@H](C)[NH3+] 20261903 166646080 /nfs/dbraw/zinc/64/60/80/166646080.db2.gz PAXARLCEQXZUFX-QMMMGPOBSA-N 2 1 167.256 1.354 20 0 ADADMP CCC1CC([NH2+][C@H]2CCC[NH2+]C2)C1 335182026 166814105 /nfs/dbraw/zinc/81/41/05/166814105.db2.gz QKVXMBDJEJXWGQ-YVNMAJEFSA-N 2 1 182.311 1.517 20 0 ADADMP CCC1CC([NH2+][C@H]2CC[NH2+]C2)C1 335056221 166814320 /nfs/dbraw/zinc/81/43/20/166814320.db2.gz ANLACWRFULOBDU-KYHHOPLUSA-N 2 1 168.284 1.127 20 0 ADADMP CCCC[N@@H+](CCC[NH2+]C)C1CC1 42491061 166886154 /nfs/dbraw/zinc/88/61/54/166886154.db2.gz PGWFGCROUDDFTL-UHFFFAOYSA-N 2 1 184.327 1.860 20 0 ADADMP CCC[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 51889653 166951895 /nfs/dbraw/zinc/95/18/95/166951895.db2.gz ZJNWHRLPFRDROP-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[NH2+][C@@H](C[NH3+])C1CCCCC1 50270570 166994175 /nfs/dbraw/zinc/99/41/75/166994175.db2.gz OHHGPLMOBJKFJY-NSHDSACASA-N 2 1 184.327 1.894 20 0 ADADMP CCC[NH2+][C@H](C[NH3+])C(C)(C)C 50270695 167001919 /nfs/dbraw/zinc/00/19/19/167001919.db2.gz CNNSMWUXISHKFG-MRVPVSSYSA-N 2 1 158.289 1.359 20 0 ADADMP CCC[NH2+][C@H](C[NH3+])C1CCCCC1 50270571 167001958 /nfs/dbraw/zinc/00/19/58/167001958.db2.gz OHHGPLMOBJKFJY-LLVKDONJSA-N 2 1 184.327 1.894 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 49694182 167001999 /nfs/dbraw/zinc/00/19/99/167001999.db2.gz MEBDFQGZMLVPDO-ZJUUUORDSA-N 2 1 170.300 1.469 20 0 ADADMP CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155774048 167002424 /nfs/dbraw/zinc/00/24/24/167002424.db2.gz OBCSIPRHLHQVBH-WDEREUQCSA-N 2 1 182.311 1.613 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C 49708953 167003563 /nfs/dbraw/zinc/00/35/63/167003563.db2.gz HNHRRIHQGLYAAT-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 49694168 167003979 /nfs/dbraw/zinc/00/39/79/167003979.db2.gz NWRQJNGJNPHOQV-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 250816364 167004019 /nfs/dbraw/zinc/00/40/19/167004019.db2.gz NWRQJNGJNPHOQV-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250817722 167004151 /nfs/dbraw/zinc/00/41/51/167004151.db2.gz OBCSIPRHLHQVBH-QWRGUYRKSA-N 2 1 182.311 1.613 20 0 ADADMP CCC[NH2+][C@](C)(C[NH3+])C1CC1 50270652 167005412 /nfs/dbraw/zinc/00/54/12/167005412.db2.gz KNRNUOZYIGVSIA-SECBINFHSA-N 2 1 156.273 1.113 20 0 ADADMP CCC[NH2+][C@](C)(C[NH3+])C(C)C 50270697 167006950 /nfs/dbraw/zinc/00/69/50/167006950.db2.gz HMZGLFFRNOWBHL-SECBINFHSA-N 2 1 158.289 1.359 20 0 ADADMP CCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 19902576 167032710 /nfs/dbraw/zinc/03/27/10/167032710.db2.gz DBCVJXPIDSAQSM-SNVBAGLBSA-N 2 1 184.327 1.859 20 0 ADADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889512 167033496 /nfs/dbraw/zinc/03/34/96/167033496.db2.gz JCHINENIWKTVFE-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C 49329729 167034459 /nfs/dbraw/zinc/03/44/59/167034459.db2.gz JDGDOJJRAMSBRI-SNVBAGLBSA-N 2 1 195.310 1.970 20 0 ADADMP CCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 43323830 167034511 /nfs/dbraw/zinc/03/45/11/167034511.db2.gz BSONJNHIYDDVMX-ZJUUUORDSA-N 2 1 170.300 1.517 20 0 ADADMP CCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43323826 167035081 /nfs/dbraw/zinc/03/50/81/167035081.db2.gz BSONJNHIYDDVMX-NXEZZACHSA-N 2 1 170.300 1.517 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@H]1CCC[NH2+]C1 50402791 167041055 /nfs/dbraw/zinc/04/10/55/167041055.db2.gz SUGIBQCMUCODDM-MNOVXSKESA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@@H]1CCC[NH2+]C1 50402787 167041599 /nfs/dbraw/zinc/04/15/99/167041599.db2.gz SUGIBQCMUCODDM-GHMZBOCLSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1CC[NH2+]C1 51889514 167067026 /nfs/dbraw/zinc/06/70/26/167067026.db2.gz JCHINENIWKTVFE-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43323828 167069873 /nfs/dbraw/zinc/06/98/73/167069873.db2.gz BSONJNHIYDDVMX-VHSXEESVSA-N 2 1 170.300 1.517 20 0 ADADMP CCC[C@H](C)[NH2+]CCn1cc[nH+]c1C 49329731 167070685 /nfs/dbraw/zinc/07/06/85/167070685.db2.gz JDGDOJJRAMSBRI-JTQLQIEISA-N 2 1 195.310 1.970 20 0 ADADMP CCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 19902578 167070743 /nfs/dbraw/zinc/07/07/43/167070743.db2.gz DBCVJXPIDSAQSM-JTQLQIEISA-N 2 1 184.327 1.859 20 0 ADADMP CCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 43323832 167071079 /nfs/dbraw/zinc/07/10/79/167071079.db2.gz BSONJNHIYDDVMX-UWVGGRQHSA-N 2 1 170.300 1.517 20 0 ADADMP CCC[C@H](CC)[NH2+][C@H]1CCC[NH2+]C1 50402794 167075790 /nfs/dbraw/zinc/07/57/90/167075790.db2.gz SUGIBQCMUCODDM-QWRGUYRKSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@H](CC)[NH2+][C@@H]1CCC[NH2+]C1 50402789 167076206 /nfs/dbraw/zinc/07/62/06/167076206.db2.gz SUGIBQCMUCODDM-WDEREUQCSA-N 2 1 184.327 1.907 20 0 ADADMP CC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C 334377309 167141009 /nfs/dbraw/zinc/14/10/09/167141009.db2.gz WMIQUCJEONBSRX-ZACCUICWSA-N 2 1 182.311 1.563 20 0 ADADMP CC[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 334377309 167141011 /nfs/dbraw/zinc/14/10/11/167141011.db2.gz WMIQUCJEONBSRX-ZACCUICWSA-N 2 1 182.311 1.563 20 0 ADADMP CC[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C 334377309 167141015 /nfs/dbraw/zinc/14/10/15/167141015.db2.gz WMIQUCJEONBSRX-ZACCUICWSA-N 2 1 182.311 1.563 20 0 ADADMP CC[N@@H+](C)C1CCC([NH3+])CC1 55144298 167142785 /nfs/dbraw/zinc/14/27/85/167142785.db2.gz ARHSIFWLTVWEBG-UHFFFAOYSA-N 2 1 156.273 1.208 20 0 ADADMP CC[NH+]1CC[C@@H]([N@H+](C)CC)C[C@H]1C 335916786 167144460 /nfs/dbraw/zinc/14/44/60/167144460.db2.gz IYJLKOBBGYLDAL-GHMZBOCLSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 335916786 167144462 /nfs/dbraw/zinc/14/44/62/167144462.db2.gz IYJLKOBBGYLDAL-GHMZBOCLSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 335916786 167144463 /nfs/dbraw/zinc/14/44/63/167144463.db2.gz IYJLKOBBGYLDAL-GHMZBOCLSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+]1CC[C@H]([N@H+](C)CC)C[C@@H]1C 335916788 167149263 /nfs/dbraw/zinc/14/92/63/167149263.db2.gz IYJLKOBBGYLDAL-QWRGUYRKSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 335916788 167149265 /nfs/dbraw/zinc/14/92/65/167149265.db2.gz IYJLKOBBGYLDAL-QWRGUYRKSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 335916788 167149267 /nfs/dbraw/zinc/14/92/67/167149267.db2.gz IYJLKOBBGYLDAL-QWRGUYRKSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+]1CC[C@H]([N@H+](C)CC)C[C@H]1C 335916787 167151338 /nfs/dbraw/zinc/15/13/38/167151338.db2.gz IYJLKOBBGYLDAL-MNOVXSKESA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 335916787 167151339 /nfs/dbraw/zinc/15/13/39/167151339.db2.gz IYJLKOBBGYLDAL-MNOVXSKESA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 335916787 167151341 /nfs/dbraw/zinc/15/13/41/167151341.db2.gz IYJLKOBBGYLDAL-MNOVXSKESA-N 2 1 184.327 1.811 20 0 ADADMP CC[N@H+](C1CC[NH2+]CC1)C1CC1 47920700 167152831 /nfs/dbraw/zinc/15/28/31/167152831.db2.gz TWTWBOLMORHXLI-UHFFFAOYSA-N 2 1 168.284 1.223 20 0 ADADMP CC[N@@H+](CC(C)C)C[C@H]1CC[NH2+]C1 51889460 167156556 /nfs/dbraw/zinc/15/65/56/167156556.db2.gz NFHPLEYMORQTQE-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP CC[N@@H+](CC(C)C)C[C@@H]1CC[NH2+]C1 51889458 167157260 /nfs/dbraw/zinc/15/72/60/167157260.db2.gz NFHPLEYMORQTQE-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CC[N@@H+](CC(C)(C)[NH3+])C1CC1 40925864 167159240 /nfs/dbraw/zinc/15/92/40/167159240.db2.gz MYEAVFOITPFIME-UHFFFAOYSA-N 2 1 156.273 1.208 20 0 ADADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)C 45690026 167166237 /nfs/dbraw/zinc/16/62/37/167166237.db2.gz DBWYVGLVDPCSBL-LLVKDONJSA-N 2 1 186.343 1.962 20 0 ADADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC1CC1 45692299 167167573 /nfs/dbraw/zinc/16/75/73/167167573.db2.gz TWLWOZAHRSCUNZ-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)CCn1cc[nH+]c1C 1755482 167167597 /nfs/dbraw/zinc/16/75/97/167167597.db2.gz SGHSMGSQKBKGLO-UHFFFAOYSA-N 2 1 181.283 1.533 20 0 ADADMP CC[NH+](CC)C[C@@H](C)[NH2+]C(C)C 45691038 167168388 /nfs/dbraw/zinc/16/83/88/167168388.db2.gz YZDXPPBAUXRVKC-SNVBAGLBSA-N 2 1 172.316 1.715 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)C 45690029 167168515 /nfs/dbraw/zinc/16/85/15/167168515.db2.gz DBWYVGLVDPCSBL-NSHDSACASA-N 2 1 186.343 1.962 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]CC1CC1 45692302 167168839 /nfs/dbraw/zinc/16/88/39/167168839.db2.gz TWLWOZAHRSCUNZ-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)C[C@H](C)[NH2+]C(C)C 45691041 167169614 /nfs/dbraw/zinc/16/96/14/167169614.db2.gz YZDXPPBAUXRVKC-JTQLQIEISA-N 2 1 172.316 1.715 20 0 ADADMP CC[N@@H+](CC1CC[NH2+]CC1)C(C)C 37082450 167176749 /nfs/dbraw/zinc/17/67/49/167176749.db2.gz GZKVIPZPDKNSJJ-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](CC1CC[NH2+]CC1)C1CC1 37080166 167177938 /nfs/dbraw/zinc/17/79/38/167177938.db2.gz JJXDXMBCGIAKGK-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@@H+](CCC[NH3+])Cc1cccs1 42472749 167179334 /nfs/dbraw/zinc/17/93/34/167179334.db2.gz CDVAZRUSDSOANW-UHFFFAOYSA-N 2 1 198.335 1.919 20 0 ADADMP CC[N@@H+](CCC[NH3+])CC1CCCC1 42011103 167179930 /nfs/dbraw/zinc/17/99/30/167179930.db2.gz RIVCLXNBTHDIGX-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 51918939 167190592 /nfs/dbraw/zinc/19/05/92/167190592.db2.gz SEXWGWRHWHMTIX-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 51918940 167190633 /nfs/dbraw/zinc/19/06/33/167190633.db2.gz SEXWGWRHWHMTIX-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)C 51889429 167191043 /nfs/dbraw/zinc/19/10/43/167191043.db2.gz VTSFVQFBWPYCMX-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C(C)C 37082449 167191945 /nfs/dbraw/zinc/19/19/45/167191945.db2.gz RUKIDHLWVFOUNE-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)C 37082448 167192387 /nfs/dbraw/zinc/19/23/87/167192387.db2.gz RUKIDHLWVFOUNE-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 37080165 167193334 /nfs/dbraw/zinc/19/33/34/167193334.db2.gz URFJFWLTJDZSMX-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 37080164 167194237 /nfs/dbraw/zinc/19/42/37/167194237.db2.gz URFJFWLTJDZSMX-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C(C)C 51889431 167194751 /nfs/dbraw/zinc/19/47/51/167194751.db2.gz VTSFVQFBWPYCMX-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP CC[N@H+]1CC2(CC[NH2+]CC2)C[C@H]1C 335276065 167198260 /nfs/dbraw/zinc/19/82/60/167198260.db2.gz FDYLUFDVGQJKBQ-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C 335276064 167199495 /nfs/dbraw/zinc/19/94/95/167199495.db2.gz FDYLUFDVGQJKBQ-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CC[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 45115418 167201187 /nfs/dbraw/zinc/20/11/87/167201187.db2.gz LXHUOTAEOFFFNG-NSHDSACASA-N 2 1 196.338 1.859 20 0 ADADMP CC[NH+]1CCC([NH+](CC)CC)CC1 73652792 167201228 /nfs/dbraw/zinc/20/12/28/167201228.db2.gz BSJIDPKQFHWPRB-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 35136491 167201483 /nfs/dbraw/zinc/20/14/83/167201483.db2.gz VOXHCVAOMYBRRN-JTQLQIEISA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 68590720 167202249 /nfs/dbraw/zinc/20/22/49/167202249.db2.gz FLXCSEVIJPITAU-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CC[NH+]1CCC([NH2+]C2CCC2)CC1 44481866 167202542 /nfs/dbraw/zinc/20/25/42/167202542.db2.gz ZGYAFXYJJJTSJL-UHFFFAOYSA-N 2 1 182.311 1.613 20 0 ADADMP CC[NH+]1CCC([NH2+]C(C)(C)C)CC1 73652770 167202817 /nfs/dbraw/zinc/20/28/17/167202817.db2.gz GMUBDSFREHAKIA-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC[N@H+]1CCC[C@@H](C[NH2+]C(C)C)C1 53655306 167202945 /nfs/dbraw/zinc/20/29/45/167202945.db2.gz KHEBSEBAHWYFMO-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+]1CCC2(CCC[N@H+]2C)CC1 307208868 167203689 /nfs/dbraw/zinc/20/36/89/167203689.db2.gz ONRFOCUUZGXQAO-UHFFFAOYSA-N 2 1 182.311 1.567 20 0 ADADMP CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 336510622 167203820 /nfs/dbraw/zinc/20/38/20/167203820.db2.gz ULHHMNFMOYZRGQ-GFCCVEGCSA-N 2 1 196.338 1.957 20 0 ADADMP CC[NH+]1CCC([NH2+]C(C)C)CC1 19880388 167203993 /nfs/dbraw/zinc/20/39/93/167203993.db2.gz LOUFDBZFROPJFE-UHFFFAOYSA-N 2 1 170.300 1.469 20 0 ADADMP CC[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 35136492 167204068 /nfs/dbraw/zinc/20/40/68/167204068.db2.gz VOXHCVAOMYBRRN-SNVBAGLBSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 306518115 167204748 /nfs/dbraw/zinc/20/47/48/167204748.db2.gz AXTWKLORECSGQV-SNVBAGLBSA-N 2 1 170.300 1.422 20 0 ADADMP CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 68590723 167204906 /nfs/dbraw/zinc/20/49/06/167204906.db2.gz FLXCSEVIJPITAU-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 336510624 167205574 /nfs/dbraw/zinc/20/55/74/167205574.db2.gz ULHHMNFMOYZRGQ-LBPRGKRZSA-N 2 1 196.338 1.957 20 0 ADADMP CC[N@H+]1CCC[C@H](C[NH2+]C(C)C)C1 53655300 167206340 /nfs/dbraw/zinc/20/63/40/167206340.db2.gz KHEBSEBAHWYFMO-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 334981971 167207494 /nfs/dbraw/zinc/20/74/94/167207494.db2.gz VVPBEVJWTIRCOJ-QWRGUYRKSA-N 2 1 182.311 1.328 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 334981972 167208393 /nfs/dbraw/zinc/20/83/93/167208393.db2.gz VVPBEVJWTIRCOJ-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 334981970 167208578 /nfs/dbraw/zinc/20/85/78/167208578.db2.gz VVPBEVJWTIRCOJ-MNOVXSKESA-N 2 1 182.311 1.328 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 334981969 167209718 /nfs/dbraw/zinc/20/97/18/167209718.db2.gz VVPBEVJWTIRCOJ-GHMZBOCLSA-N 2 1 182.311 1.328 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 37208394 167210377 /nfs/dbraw/zinc/21/03/77/167210377.db2.gz YOCWDKFYEAIGBL-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 37208395 167210404 /nfs/dbraw/zinc/21/04/04/167210404.db2.gz YOCWDKFYEAIGBL-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 334470667 167216081 /nfs/dbraw/zinc/21/60/81/167216081.db2.gz IGYXWZXPLHSZMT-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 336552722 167216822 /nfs/dbraw/zinc/21/68/22/167216822.db2.gz LXHWBIXVMMHVBA-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC2)[C@H](C)C1 307747695 167217089 /nfs/dbraw/zinc/21/70/89/167217089.db2.gz ZLUFIVUZLDFOLN-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP CC[NH+]1CC[C@@]2(CCC[N@H+](C)C2)C1 307670403 167217454 /nfs/dbraw/zinc/21/74/54/167217454.db2.gz QAOXDKWFBFUZHX-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CC[C@@]2(CCC[N@@H+](C)C2)C1 307670403 167217456 /nfs/dbraw/zinc/21/74/56/167217456.db2.gz QAOXDKWFBFUZHX-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@H](C)C1 73653855 167217721 /nfs/dbraw/zinc/21/77/21/167217721.db2.gz HYYYKTNXWUFDEL-MWLCHTKSSA-N 2 1 182.311 1.469 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC2)[C@@H](C)C1 307747692 167219016 /nfs/dbraw/zinc/21/90/16/167219016.db2.gz ZLUFIVUZLDFOLN-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP CC[NH+]1CC[C@@H]([N@H+](C)CC)C[C@@H]1C 335916789 167219490 /nfs/dbraw/zinc/21/94/90/167219490.db2.gz IYJLKOBBGYLDAL-WDEREUQCSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 335916789 167219493 /nfs/dbraw/zinc/21/94/93/167219493.db2.gz IYJLKOBBGYLDAL-WDEREUQCSA-N 2 1 184.327 1.811 20 0 ADADMP CC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 335916789 167219499 /nfs/dbraw/zinc/21/94/99/167219499.db2.gz IYJLKOBBGYLDAL-WDEREUQCSA-N 2 1 184.327 1.811 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)C)[C@H](C)C1 73653885 167220068 /nfs/dbraw/zinc/22/00/68/167220068.db2.gz ZYOZYGJUTHRMKD-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 336552723 167222502 /nfs/dbraw/zinc/22/25/02/167222502.db2.gz LXHWBIXVMMHVBA-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CC[N@H+]1CC[C@]2(CCC[NH+](C)C2)C1 307670404 167223047 /nfs/dbraw/zinc/22/30/47/167223047.db2.gz QAOXDKWFBFUZHX-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CC[C@]2(CCC[N@H+](C)C2)C1 307670404 167223049 /nfs/dbraw/zinc/22/30/49/167223049.db2.gz QAOXDKWFBFUZHX-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CC[C@]2(CCC[N@@H+](C)C2)C1 307670404 167223051 /nfs/dbraw/zinc/22/30/51/167223051.db2.gz QAOXDKWFBFUZHX-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@H](C)C1 73653852 167223345 /nfs/dbraw/zinc/22/33/45/167223345.db2.gz HYYYKTNXWUFDEL-KOLCDFICSA-N 2 1 182.311 1.469 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)C)[C@H](C)C1 73653882 167223650 /nfs/dbraw/zinc/22/36/50/167223650.db2.gz ZYOZYGJUTHRMKD-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@H](C)C1 307747694 167223768 /nfs/dbraw/zinc/22/37/68/167223768.db2.gz ZLUFIVUZLDFOLN-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC2)[C@@H](C)C1 307747693 167224394 /nfs/dbraw/zinc/22/43/94/167224394.db2.gz ZLUFIVUZLDFOLN-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 334470669 167224510 /nfs/dbraw/zinc/22/45/10/167224510.db2.gz IGYXWZXPLHSZMT-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 336616492 167225310 /nfs/dbraw/zinc/22/53/10/167225310.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 2 1 182.311 1.422 20 0 ADADMP CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 336616492 167225311 /nfs/dbraw/zinc/22/53/11/167225311.db2.gz ACJAWNWOHNUPAI-MNOVXSKESA-N 2 1 182.311 1.422 20 0 ADADMP CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 336616494 167225332 /nfs/dbraw/zinc/22/53/32/167225332.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 2 1 182.311 1.422 20 0 ADADMP CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 336616494 167225335 /nfs/dbraw/zinc/22/53/35/167225335.db2.gz ACJAWNWOHNUPAI-QWRGUYRKSA-N 2 1 182.311 1.422 20 0 ADADMP CC[N@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629145 167229187 /nfs/dbraw/zinc/22/91/87/167229187.db2.gz QPMVWSUNTYBPJE-ULKQDVFKSA-N 2 1 168.284 1.066 20 0 ADADMP CC[NH2+]CC[NH2+]C1CCCCCC1 44651717 167264514 /nfs/dbraw/zinc/26/45/14/167264514.db2.gz FJXULXBRRCTCOJ-UHFFFAOYSA-N 2 1 184.327 1.908 20 0 ADADMP CC[NH2+]CC[NH2+]C(C1CC1)C1CC1 44651746 167267126 /nfs/dbraw/zinc/26/71/26/167267126.db2.gz IEWWVXAGJWHXIZ-UHFFFAOYSA-N 2 1 182.311 1.374 20 0 ADADMP CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250621899 167290713 /nfs/dbraw/zinc/29/07/13/167290713.db2.gz JVCXUXRCEXHSLS-ZJUUUORDSA-N 2 1 168.284 1.223 20 0 ADADMP CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250621897 167301031 /nfs/dbraw/zinc/30/10/31/167301031.db2.gz JVCXUXRCEXHSLS-UWVGGRQHSA-N 2 1 168.284 1.223 20 0 ADADMP CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 306518113 167208883 /nfs/dbraw/zinc/20/88/83/167208883.db2.gz AXTWKLORECSGQV-JTQLQIEISA-N 2 1 170.300 1.422 20 0 ADADMP CC[C@@H]1CCCC[N@H+]1CCC[NH2+]C 42409491 167544864 /nfs/dbraw/zinc/54/48/64/167544864.db2.gz JLXYCVZSEQQJAP-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 37914165 167547862 /nfs/dbraw/zinc/54/78/62/167547862.db2.gz MDZGRVSBAVLXHA-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 37914166 167677816 /nfs/dbraw/zinc/67/78/16/167677816.db2.gz MDZGRVSBAVLXHA-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 307151786 167689376 /nfs/dbraw/zinc/68/93/76/167689376.db2.gz WKYJYUACMLDELD-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP CCc1[nH+]ccn1CCC[NH2+]C 42420136 167779815 /nfs/dbraw/zinc/77/98/15/167779815.db2.gz IKGMBWDOVAQZEO-UHFFFAOYSA-N 2 1 167.256 1.055 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCCC2)C1 53030988 168007348 /nfs/dbraw/zinc/00/73/48/168007348.db2.gz TYULKLYRASMGCC-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(C)C)C1 11892096 168007424 /nfs/dbraw/zinc/00/74/24/168007424.db2.gz SRTGQYFLJWHQKC-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC(C)C 39781765 168007444 /nfs/dbraw/zinc/00/74/44/168007444.db2.gz NLRRVTDJDXIEAM-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(C)C 39781769 168007492 /nfs/dbraw/zinc/00/74/92/168007492.db2.gz VHWJGDXJKBIUPE-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(C)C)C1 11888644 168007543 /nfs/dbraw/zinc/00/75/43/168007543.db2.gz PECFHQLRGSXEGS-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CCC2)C1 53030950 168007622 /nfs/dbraw/zinc/00/76/22/168007622.db2.gz LYFLSWUSQPDZMK-NSHDSACASA-N 2 1 182.311 1.328 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 11888630 168007905 /nfs/dbraw/zinc/00/79/05/168007905.db2.gz LHPSNSDRNRCFDY-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CC1 39781766 168008160 /nfs/dbraw/zinc/00/81/60/168008160.db2.gz RXHLTBXXSFKKCU-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CC(C)C 39781764 168012129 /nfs/dbraw/zinc/01/21/29/168012129.db2.gz NLRRVTDJDXIEAM-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CCC(C)C 39781768 168012178 /nfs/dbraw/zinc/01/21/78/168012178.db2.gz VHWJGDXJKBIUPE-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CC1 39781767 168012406 /nfs/dbraw/zinc/01/24/06/168012406.db2.gz RXHLTBXXSFKKCU-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(C)C)C1 11888647 168012777 /nfs/dbraw/zinc/01/27/77/168012777.db2.gz PECFHQLRGSXEGS-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 11888633 168013035 /nfs/dbraw/zinc/01/30/35/168013035.db2.gz LHPSNSDRNRCFDY-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(C)C)C1 11892100 168013865 /nfs/dbraw/zinc/01/38/65/168013865.db2.gz SRTGQYFLJWHQKC-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCCC2)C1 53030989 168014084 /nfs/dbraw/zinc/01/40/84/168014084.db2.gz TYULKLYRASMGCC-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CCC2)C1 53030951 168014341 /nfs/dbraw/zinc/01/43/41/168014341.db2.gz LYFLSWUSQPDZMK-LLVKDONJSA-N 2 1 182.311 1.328 20 0 ADADMP C[NH2+][C@@H](C[NH+]1CCCC1)C(C)C 38973417 168036317 /nfs/dbraw/zinc/03/63/17/168036317.db2.gz ZIDNRUFGAGPXNN-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@@H]1CCC[N@@H+](C(C)C)C1 39080935 168040783 /nfs/dbraw/zinc/04/07/83/168040783.db2.gz AWRYBXXINJOFLR-SECBINFHSA-N 2 1 156.273 1.079 20 0 ADADMP C[NH2+][C@@H]1CCC[N@H+](C(C)C)C1 39080935 168040785 /nfs/dbraw/zinc/04/07/85/168040785.db2.gz AWRYBXXINJOFLR-SECBINFHSA-N 2 1 156.273 1.079 20 0 ADADMP C[NH2+][C@@H]1CCC[N@H+](CC2CC2)C1 53201750 168040983 /nfs/dbraw/zinc/04/09/83/168040983.db2.gz AKGZDEAOAOUKKP-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@@H]1CCC[N@@H+](CC2CC2)C1 53201750 168040986 /nfs/dbraw/zinc/04/09/86/168040986.db2.gz AKGZDEAOAOUKKP-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CC2CCCCC2)C1 37259763 168042716 /nfs/dbraw/zinc/04/27/16/168042716.db2.gz HYROWOKMBIYQJD-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259763 168042718 /nfs/dbraw/zinc/04/27/18/168042718.db2.gz HYROWOKMBIYQJD-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CCC2CCCC2)C1 88284540 168042857 /nfs/dbraw/zinc/04/28/57/168042857.db2.gz KMURMFOIGCVSOK-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CCC2CCCC2)C1 88284540 168042858 /nfs/dbraw/zinc/04/28/58/168042858.db2.gz KMURMFOIGCVSOK-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@@H]1C[C@@H]2CCC[C@H](C1)[N@H+]2C 100156691 168043427 /nfs/dbraw/zinc/04/34/27/168043427.db2.gz PHJLVSUDZVBSFQ-ILWJIGKKSA-N 2 1 168.284 1.221 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CCC(C)C)C1 37240444 168043541 /nfs/dbraw/zinc/04/35/41/168043541.db2.gz JOLWLUJBPXJAQX-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CCC(C)C)C1 37240444 168043543 /nfs/dbraw/zinc/04/35/43/168043543.db2.gz JOLWLUJBPXJAQX-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 37258661 168043922 /nfs/dbraw/zinc/04/39/22/168043922.db2.gz VESFNGJKVIOFDG-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 37258661 168043925 /nfs/dbraw/zinc/04/39/25/168043925.db2.gz VESFNGJKVIOFDG-LLVKDONJSA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@H](C[NH+]1CCCC1)C(C)C 34060713 168053912 /nfs/dbraw/zinc/05/39/12/168053912.db2.gz ZIDNRUFGAGPXNN-SNVBAGLBSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 37242460 168056585 /nfs/dbraw/zinc/05/65/85/168056585.db2.gz RJAZKTXQDGLNOH-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 37242460 168056586 /nfs/dbraw/zinc/05/65/86/168056586.db2.gz RJAZKTXQDGLNOH-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CC2CCCCC2)C1 37259765 168057127 /nfs/dbraw/zinc/05/71/27/168057127.db2.gz HYROWOKMBIYQJD-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CC2CCCCC2)C1 37259765 168057128 /nfs/dbraw/zinc/05/71/28/168057128.db2.gz HYROWOKMBIYQJD-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CCC[N@H+](CC2CC2)C1 53201751 168057157 /nfs/dbraw/zinc/05/71/57/168057157.db2.gz AKGZDEAOAOUKKP-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@H]1CCC[N@@H+](CC2CC2)C1 53201751 168057158 /nfs/dbraw/zinc/05/71/58/168057158.db2.gz AKGZDEAOAOUKKP-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 39080933 168057228 /nfs/dbraw/zinc/05/72/28/168057228.db2.gz AWRYBXXINJOFLR-VIFPVBQESA-N 2 1 156.273 1.079 20 0 ADADMP C[NH2+][C@H]1CCC[N@H+](C(C)C)C1 39080933 168057230 /nfs/dbraw/zinc/05/72/30/168057230.db2.gz AWRYBXXINJOFLR-VIFPVBQESA-N 2 1 156.273 1.079 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CCC2CCCC2)C1 88284541 168057359 /nfs/dbraw/zinc/05/73/59/168057359.db2.gz KMURMFOIGCVSOK-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CCC2CCCC2)C1 88284541 168057361 /nfs/dbraw/zinc/05/73/61/168057361.db2.gz KMURMFOIGCVSOK-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CCC(C)C)C1 37240442 168057457 /nfs/dbraw/zinc/05/74/57/168057457.db2.gz JOLWLUJBPXJAQX-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CCC(C)C)C1 37240442 168057458 /nfs/dbraw/zinc/05/74/58/168057458.db2.gz JOLWLUJBPXJAQX-JTQLQIEISA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 37258663 168057522 /nfs/dbraw/zinc/05/75/22/168057522.db2.gz VESFNGJKVIOFDG-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 37258663 168057524 /nfs/dbraw/zinc/05/75/24/168057524.db2.gz VESFNGJKVIOFDG-NSHDSACASA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](CC2CCC2)C1 37242458 168041660 /nfs/dbraw/zinc/04/16/60/168041660.db2.gz RJAZKTXQDGLNOH-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](CC2CCC2)C1 37242458 168041661 /nfs/dbraw/zinc/04/16/61/168041661.db2.gz RJAZKTXQDGLNOH-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP COCC[N@@H+](C)CCCCCC[NH3+] 42460255 168158954 /nfs/dbraw/zinc/15/89/54/168158954.db2.gz NYUJLSVYTIGMQH-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP C[C@@H](C1CC1)[N@@H+](C)CC1CC[NH2+]CC1 36785608 168331270 /nfs/dbraw/zinc/33/12/70/168331270.db2.gz AJFHNULGBBSNJW-JTQLQIEISA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 36785618 168331512 /nfs/dbraw/zinc/33/15/12/168331512.db2.gz REDAFIKCWZJBGC-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H](CCc1ccccc1)[NH2+]CC[NH3+] 37712339 168339428 /nfs/dbraw/zinc/33/94/28/168339428.db2.gz MFHACZWXMFDKEH-NSHDSACASA-N 2 1 192.306 1.556 20 0 ADADMP C[C@@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)C(C)(C)C 51889858 168355726 /nfs/dbraw/zinc/35/57/26/168355726.db2.gz GMTZSDFPTPBOQC-GHMZBOCLSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]([N@@H+](C)CCC[NH3+])C(C)(C)C 42739336 168356544 /nfs/dbraw/zinc/35/65/44/168356544.db2.gz CJNJSZJDGTWRQT-SECBINFHSA-N 2 1 172.316 1.702 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC2(CCC2)C1 306566122 168362453 /nfs/dbraw/zinc/36/24/53/168362453.db2.gz YKNWNDRNNOGVJJ-SECBINFHSA-N 2 1 168.284 1.210 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC2(CCCCC2)C1 306352819 168362475 /nfs/dbraw/zinc/36/24/75/168362475.db2.gz OMQVNJLSANXEGD-LLVKDONJSA-N 2 1 196.338 1.990 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCCC2(CCCC2)C1 334971445 168363254 /nfs/dbraw/zinc/36/32/54/168363254.db2.gz XCQZZUFSTRFQLF-LLVKDONJSA-N 2 1 196.338 1.990 20 0 ADADMP C[C@@H]([NH3+])C[NH2+]Cc1ccccc1 38885764 168365112 /nfs/dbraw/zinc/36/51/12/168365112.db2.gz QEXJEJPSPOSZIS-SECBINFHSA-N 2 1 164.252 1.123 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC2)C1 163507870 168367882 /nfs/dbraw/zinc/36/78/82/168367882.db2.gz GVZPZIBAYLTTCD-PSASIEDQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CC2)C1 163508064 168368057 /nfs/dbraw/zinc/36/80/57/168368057.db2.gz GVZPZIBAYLTTCD-SCZZXKLOSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]([NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 307319885 168378595 /nfs/dbraw/zinc/37/85/95/168378595.db2.gz UDGJBZBWHACTES-SCZZXKLOSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 37249044 168379695 /nfs/dbraw/zinc/37/96/95/168379695.db2.gz XBAYTJRCQGSGMF-SECBINFHSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]([NH2+]C1CC1)[C@H]1CCCC[NH2+]1 307319884 168379891 /nfs/dbraw/zinc/37/98/91/168379891.db2.gz UDGJBZBWHACTES-PSASIEDQSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@@H]([NH2+]CC[NH3+])C1CCCCC1 37712929 168380718 /nfs/dbraw/zinc/38/07/18/168380718.db2.gz AZHZGYVVUBGEKD-SECBINFHSA-N 2 1 170.300 1.504 20 0 ADADMP C[C@@H]([NH2+]CC[NH3+])C1CCCC1 54080481 168381174 /nfs/dbraw/zinc/38/11/74/168381174.db2.gz DYRWEQGXYMSGTA-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 44534418 168381282 /nfs/dbraw/zinc/38/12/82/168381282.db2.gz CTNPFJGVZDWSDH-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 123966655 168382868 /nfs/dbraw/zinc/38/28/68/168382868.db2.gz SNUUJWHTPDKVFJ-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 44534422 168383429 /nfs/dbraw/zinc/38/34/29/168383429.db2.gz CTNPFJGVZDWSDH-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 43325500 168384473 /nfs/dbraw/zinc/38/44/73/168384473.db2.gz FQUXLIXXFVRKTK-PSASIEDQSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 69804255 168384585 /nfs/dbraw/zinc/38/45/85/168384585.db2.gz WHFUDYMJKLVCQU-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 43325503 168384915 /nfs/dbraw/zinc/38/49/15/168384915.db2.gz FQUXLIXXFVRKTK-SCZZXKLOSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 69804265 168385035 /nfs/dbraw/zinc/38/50/35/168385035.db2.gz WHFUDYMJKLVCQU-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 123967063 168385104 /nfs/dbraw/zinc/38/51/04/168385104.db2.gz SNUUJWHTPDKVFJ-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])C1CCCCC1 37712928 168566084 /nfs/dbraw/zinc/56/60/84/168566084.db2.gz AZHZGYVVUBGEKD-VIFPVBQESA-N 2 1 170.300 1.504 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@H]1C 306531475 168617032 /nfs/dbraw/zinc/61/70/32/168617032.db2.gz APKDEUDEZSVUCQ-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCCC1 335635302 168620065 /nfs/dbraw/zinc/62/00/65/168620065.db2.gz JVYAHERUCHWGCA-JQWIXIFHSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 70643034 168625393 /nfs/dbraw/zinc/62/53/93/168625393.db2.gz FOLIFGZANFFJPW-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP Cc1[nH+]c(C2CC[NH2+]CC2)cn1C 82871923 168937420 /nfs/dbraw/zinc/93/74/20/168937420.db2.gz KFUNJSOQUUGZMN-UHFFFAOYSA-N 2 1 179.267 1.196 20 0 ADADMP Cc1[nH+]cn(CC2CC[NH2+]CC2)c1C 51927086 168976012 /nfs/dbraw/zinc/97/60/12/168976012.db2.gz PKVKQDDOWPGRHF-UHFFFAOYSA-N 2 1 193.294 1.500 20 0 ADADMP FCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307213734 169077965 /nfs/dbraw/zinc/07/79/65/169077965.db2.gz YLGMZGYBEJTDBL-JTQLQIEISA-N 2 1 186.274 1.031 20 0 ADADMP FCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307213735 169078347 /nfs/dbraw/zinc/07/83/47/169078347.db2.gz YLGMZGYBEJTDBL-SNVBAGLBSA-N 2 1 186.274 1.031 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCC2)C1 37180752 169216671 /nfs/dbraw/zinc/21/66/71/169216671.db2.gz NZPSVXKWNHPNLS-SNVBAGLBSA-N 2 1 168.284 1.067 20 0 ADADMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2CC1CC1 38343298 169173268 /nfs/dbraw/zinc/17/32/68/169173268.db2.gz JWWKAOWQJVLKGZ-YOGCLGLASA-N 2 1 194.322 1.741 20 0 ADADMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2CC1CC1 38343302 169173481 /nfs/dbraw/zinc/17/34/81/169173481.db2.gz XVNCEYGZCTXFSZ-FGWVZKOKSA-N 2 1 180.295 1.351 20 0 ADADMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CC1 38343301 169173911 /nfs/dbraw/zinc/17/39/11/169173911.db2.gz AVEFUDNRJSXHMV-RSMPGPOFSA-N 2 1 166.268 1.103 20 0 in-vitro ADADMP [NH3+]CCC[N@H+]1CCC2(CCC2)C1 307490003 169182083 /nfs/dbraw/zinc/18/20/83/169182083.db2.gz XRAJSNOGEXMIPB-UHFFFAOYSA-N 2 1 168.284 1.211 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H]1C1CCCC1 45069257 169182203 /nfs/dbraw/zinc/18/22/03/169182203.db2.gz ZLDUXAAJMASGOF-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+]CCC[N@H+]1CCCC2(CCCC2)C1 334883734 169182295 /nfs/dbraw/zinc/18/22/95/169182295.db2.gz ZAQBTXYYBZTWOB-UHFFFAOYSA-N 2 1 196.338 1.991 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 227159858 169182890 /nfs/dbraw/zinc/18/28/90/169182890.db2.gz ZTWSYKDOICDLNN-MNOVXSKESA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227159852 169183020 /nfs/dbraw/zinc/18/30/20/169183020.db2.gz ZTWSYKDOICDLNN-QWRGUYRKSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H]1C1CCCC1 45069254 169183089 /nfs/dbraw/zinc/18/30/89/169183089.db2.gz ZLDUXAAJMASGOF-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+]CCC[N@H+]1C[C@H]2CCCC[C@H]2C1 307194677 169183130 /nfs/dbraw/zinc/18/31/30/169183130.db2.gz JWWBAMHPRDHURH-PHIMTYICSA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@H]2CCC[C@H]21 306167969 169183338 /nfs/dbraw/zinc/18/33/38/169183338.db2.gz IISAHPIZTHAUBP-NXEZZACHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@H]2CCC[C@@H]21 306167977 169183765 /nfs/dbraw/zinc/18/37/65/169183765.db2.gz IISAHPIZTHAUBP-ZJUUUORDSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CCC[N@H+]1CCc2ccsc2C1 334856616 169183791 /nfs/dbraw/zinc/18/37/91/169183791.db2.gz ISHUUCZKFJTWMT-UHFFFAOYSA-N 2 1 196.319 1.455 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@@H]2CCC[C@@H]21 306167971 169183821 /nfs/dbraw/zinc/18/38/21/169183821.db2.gz IISAHPIZTHAUBP-UWVGGRQHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@@H]2CCC[C@H]21 306167974 169183857 /nfs/dbraw/zinc/18/38/57/169183857.db2.gz IISAHPIZTHAUBP-VHSXEESVSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CCC[N@@H+]1CCc2sccc2C1 19485510 169183878 /nfs/dbraw/zinc/18/38/78/169183878.db2.gz XEPHLKIHYGGBCM-UHFFFAOYSA-N 2 1 196.319 1.455 20 0 ADADMP [NH3+]CCC[N@H+]1CCc2sccc2C1 19485510 169183879 /nfs/dbraw/zinc/18/38/79/169183879.db2.gz XEPHLKIHYGGBCM-UHFFFAOYSA-N 2 1 196.319 1.455 20 0 ADADMP [NH3+]CCC[N@@H+]1C[C@H]2CCC[C@H]2C1 122482653 169183891 /nfs/dbraw/zinc/18/38/91/169183891.db2.gz WJOKJBRXAWVBIZ-AOOOYVTPSA-N 2 1 168.284 1.067 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@H]1c1ccccc1 36128683 169186647 /nfs/dbraw/zinc/18/66/47/169186647.db2.gz PBJMJBBXICIPCQ-LBPRGKRZSA-N 2 1 190.290 1.782 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@H]1c1ccccc1 36128683 169186649 /nfs/dbraw/zinc/18/66/49/169186649.db2.gz PBJMJBBXICIPCQ-LBPRGKRZSA-N 2 1 190.290 1.782 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@@H]1c1ccccc1 36128684 169186677 /nfs/dbraw/zinc/18/66/77/169186677.db2.gz PBJMJBBXICIPCQ-GFCCVEGCSA-N 2 1 190.290 1.782 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@@H]1c1ccccc1 36128684 169186678 /nfs/dbraw/zinc/18/66/78/169186678.db2.gz PBJMJBBXICIPCQ-GFCCVEGCSA-N 2 1 190.290 1.782 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 227159063 169186707 /nfs/dbraw/zinc/18/67/07/169186707.db2.gz LKGUOSYJHAGVCR-UWVGGRQHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 227159063 169186709 /nfs/dbraw/zinc/18/67/09/169186709.db2.gz LKGUOSYJHAGVCR-UWVGGRQHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@@H+]1CCCC2(CCCCC2)C1 307212405 169186788 /nfs/dbraw/zinc/18/67/88/169186788.db2.gz VPJKIOHQTRXAIE-UHFFFAOYSA-N 2 1 196.338 1.991 20 0 ADADMP [NH3+]CC[N@H+]1CCCC2(CCCCC2)C1 307212405 169186789 /nfs/dbraw/zinc/18/67/89/169186789.db2.gz VPJKIOHQTRXAIE-UHFFFAOYSA-N 2 1 196.338 1.991 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@H]2CCC[C@H]21 83699945 169186801 /nfs/dbraw/zinc/18/68/01/169186801.db2.gz LKGUOSYJHAGVCR-NXEZZACHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@H]2CCC[C@H]21 83699945 169186803 /nfs/dbraw/zinc/18/68/03/169186803.db2.gz LKGUOSYJHAGVCR-NXEZZACHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@H]2CCC[C@@H]21 227159070 169187199 /nfs/dbraw/zinc/18/71/99/169187199.db2.gz LKGUOSYJHAGVCR-ZJUUUORDSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@H]2CCC[C@@H]21 227159070 169187200 /nfs/dbraw/zinc/18/72/00/169187200.db2.gz LKGUOSYJHAGVCR-ZJUUUORDSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@@H+]1CCC[C@@H]2CCC[C@H]21 83699948 169187715 /nfs/dbraw/zinc/18/77/15/169187715.db2.gz LKGUOSYJHAGVCR-VHSXEESVSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@H+]1CCC[C@@H]2CCC[C@H]21 83699948 169187716 /nfs/dbraw/zinc/18/77/16/169187716.db2.gz LKGUOSYJHAGVCR-VHSXEESVSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]CC[N@@H+]1CC[C@H](C2CCCCC2)C1 82909727 169187974 /nfs/dbraw/zinc/18/79/74/169187974.db2.gz REELKCNUUUEOAI-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[N@H+]1CC[C@H](C2CCCCC2)C1 82909727 169187975 /nfs/dbraw/zinc/18/79/75/169187975.db2.gz REELKCNUUUEOAI-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 82909726 169188316 /nfs/dbraw/zinc/18/83/16/169188316.db2.gz REELKCNUUUEOAI-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[N@H+]1CC[C@@H](C2CCCCC2)C1 82909726 169188318 /nfs/dbraw/zinc/18/83/18/169188318.db2.gz REELKCNUUUEOAI-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCCc2ccccc21 37712606 169189165 /nfs/dbraw/zinc/18/91/65/169189165.db2.gz JSGSCGSLVWIIFI-LBPRGKRZSA-N 2 1 190.290 1.612 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCC12CCCC2 335563906 169189353 /nfs/dbraw/zinc/18/93/53/169189353.db2.gz HULFBFQMSSUKEK-SECBINFHSA-N 2 1 168.284 1.258 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 37712936 169189359 /nfs/dbraw/zinc/18/93/59/169189359.db2.gz ZLGGXSSNZKSTSJ-QJPTWQEYSA-N 2 1 196.338 1.894 20 0 ADADMP [NH3+]CC[NH2+]C1C2CC3CC(C2)CC1C3 37712806 169189407 /nfs/dbraw/zinc/18/94/07/169189407.db2.gz LSZAYCTUPPKNOV-UHFFFAOYSA-N 2 1 194.322 1.359 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCCC12CCCC2 307276920 169189436 /nfs/dbraw/zinc/18/94/36/169189436.db2.gz YRGFBJUKMGBDAO-SNVBAGLBSA-N 2 1 182.311 1.648 20 0 ADADMP [NH3+]CC[NH2+]C1CCCCCCC1 22869564 169189594 /nfs/dbraw/zinc/18/95/94/169189594.db2.gz HAVXOVXPBLOTMN-UHFFFAOYSA-N 2 1 170.300 1.648 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCCC12CCCC2 307276919 169189941 /nfs/dbraw/zinc/18/99/41/169189941.db2.gz YRGFBJUKMGBDAO-JTQLQIEISA-N 2 1 182.311 1.648 20 0 ADADMP [NH3+]CC[NH2+]C1CCC2(CC1)CC2 335563654 169190154 /nfs/dbraw/zinc/19/01/54/169190154.db2.gz GTNZJVNTGFDNEO-UHFFFAOYSA-N 2 1 168.284 1.258 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCCC12CCC2 307214870 169190292 /nfs/dbraw/zinc/19/02/92/169190292.db2.gz RXUJGQULLFEINC-VIFPVBQESA-N 2 1 168.284 1.258 20 0 ADADMP [NH3+]CC[NH2+]C1CC(c2ccccc2)C1 37712816 169190489 /nfs/dbraw/zinc/19/04/89/169190489.db2.gz PYLQZJQFSQXQTP-UHFFFAOYSA-N 2 1 190.290 1.481 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCc2ccccc2C1 37712960 169190630 /nfs/dbraw/zinc/19/06/30/169190630.db2.gz YANJOBJMHFAXJW-GFCCVEGCSA-N 2 1 190.290 1.092 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCc2ccccc21 37712407 169190655 /nfs/dbraw/zinc/19/06/55/169190655.db2.gz HPTMWTSPBMIUSW-LLVKDONJSA-N 2 1 176.263 1.222 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCC12CCCC2 335563910 169190910 /nfs/dbraw/zinc/19/09/10/169190910.db2.gz HULFBFQMSSUKEK-VIFPVBQESA-N 2 1 168.284 1.258 20 0 ADADMP [NH3+]CC[NH2+]CCc1ccc(Cl)cc1 19732697 169191005 /nfs/dbraw/zinc/19/10/05/169191005.db2.gz SASUHQRPFWSVKI-UHFFFAOYSA-N 2 1 198.697 1.431 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCc2ccccc2C1 37712959 169191216 /nfs/dbraw/zinc/19/12/16/169191216.db2.gz YANJOBJMHFAXJW-LBPRGKRZSA-N 2 1 190.290 1.092 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCCC12CCC2 307214868 169191222 /nfs/dbraw/zinc/19/12/22/169191222.db2.gz RXUJGQULLFEINC-SECBINFHSA-N 2 1 168.284 1.258 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCc2ccccc21 37712406 169191269 /nfs/dbraw/zinc/19/12/69/169191269.db2.gz HPTMWTSPBMIUSW-NSHDSACASA-N 2 1 176.263 1.222 20 0 ADADMP [NH3+]CC[NH2+]C1CCCCCC1 38973139 169191355 /nfs/dbraw/zinc/19/13/55/169191355.db2.gz RJRDAFDPNGOOAB-UHFFFAOYSA-N 2 1 156.273 1.258 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCCc2ccccc21 37712607 169191360 /nfs/dbraw/zinc/19/13/60/169191360.db2.gz JSGSCGSLVWIIFI-GFCCVEGCSA-N 2 1 190.290 1.612 20 0 ADADMP [NH3+]CC[C@@H]1CCCn2c[nH+]cc21 82403292 169194451 /nfs/dbraw/zinc/19/44/51/169194451.db2.gz YWIPYVUNGUNKHL-QMMMGPOBSA-N 2 1 165.240 1.109 20 0 ADADMP [NH3+]CC[C@H]1CCCn2c[nH+]cc21 82403291 169195121 /nfs/dbraw/zinc/19/51/21/169195121.db2.gz YWIPYVUNGUNKHL-MRVPVSSYSA-N 2 1 165.240 1.109 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCCC2)C1 37258690 169207520 /nfs/dbraw/zinc/20/75/20/169207520.db2.gz OZOJVLPABFQBIO-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCCC2)C1 42375055 169207549 /nfs/dbraw/zinc/20/75/49/169207549.db2.gz CJOMDRKSCSVNDO-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccs2)C1 36667072 169207618 /nfs/dbraw/zinc/20/76/18/169207618.db2.gz HJWOVOMPHQRPPV-VIFPVBQESA-N 2 1 196.319 1.529 20 0 ADADMP [NH3+]C[C@@H]1CC[N@H+](C/C=C/Cl)C1 50247372 169207793 /nfs/dbraw/zinc/20/77/93/169207793.db2.gz MUDVIJHNGSHSRY-LKVYWMSASA-N 2 1 174.675 1.020 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C/Cl)C1 50247372 169207794 /nfs/dbraw/zinc/20/77/94/169207794.db2.gz MUDVIJHNGSHSRY-LKVYWMSASA-N 2 1 174.675 1.020 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 37741416 169207973 /nfs/dbraw/zinc/20/79/73/169207973.db2.gz DMYMHALOUBEMPU-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccsc2)C1 50245296 169208028 /nfs/dbraw/zinc/20/80/28/169208028.db2.gz UETYSGDEFLAFKV-VIFPVBQESA-N 2 1 196.319 1.529 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 37259787 169208109 /nfs/dbraw/zinc/20/81/09/169208109.db2.gz ZIQFNXXYWCUIGE-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@H+](C/C=C/Cl)C1 44529428 169208342 /nfs/dbraw/zinc/20/83/42/169208342.db2.gz JIRPTGYLEIONGT-LXOKAJLYSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 44529428 169208344 /nfs/dbraw/zinc/20/83/44/169208344.db2.gz JIRPTGYLEIONGT-LXOKAJLYSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CC2CCC2)C1 37180754 169208646 /nfs/dbraw/zinc/20/86/46/169208646.db2.gz NZPSVXKWNHPNLS-JTQLQIEISA-N 2 1 168.284 1.067 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCCC2)C1 42375054 169215463 /nfs/dbraw/zinc/21/54/63/169215463.db2.gz CJOMDRKSCSVNDO-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+](C/C=C/Cl)C1 44529426 169215498 /nfs/dbraw/zinc/21/54/98/169215498.db2.gz JIRPTGYLEIONGT-HDMKULJXSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C/Cl)C1 44529426 169215499 /nfs/dbraw/zinc/21/54/99/169215499.db2.gz JIRPTGYLEIONGT-HDMKULJXSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CCC2CCCC2)C1 37741415 169215716 /nfs/dbraw/zinc/21/57/16/169215716.db2.gz DMYMHALOUBEMPU-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccs2)C1 36667071 169215731 /nfs/dbraw/zinc/21/57/31/169215731.db2.gz HJWOVOMPHQRPPV-SECBINFHSA-N 2 1 196.319 1.529 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCCCC2)C1 37259785 169215941 /nfs/dbraw/zinc/21/59/41/169215941.db2.gz ZIQFNXXYWCUIGE-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CC2CCCC2)C1 37258688 169216064 /nfs/dbraw/zinc/21/60/64/169216064.db2.gz OZOJVLPABFQBIO-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccsc2)C1 50245295 169216206 /nfs/dbraw/zinc/21/62/06/169216206.db2.gz UETYSGDEFLAFKV-SECBINFHSA-N 2 1 196.319 1.529 20 0 ADADMP [NH3+]C[C@H]1CC[N@H+](C/C=C/Cl)C1 50247373 169216328 /nfs/dbraw/zinc/21/63/28/169216328.db2.gz MUDVIJHNGSHSRY-YUQHSTNDSA-N 2 1 174.675 1.020 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C/Cl)C1 50247373 169216329 /nfs/dbraw/zinc/21/63/29/169216329.db2.gz MUDVIJHNGSHSRY-YUQHSTNDSA-N 2 1 174.675 1.020 20 0 ADADMP Nc1[nH+]ccc2cc(C[NH3+])ccc12 66105145 169223526 /nfs/dbraw/zinc/22/35/26/169223526.db2.gz LWDVTRXNUGVQES-UHFFFAOYSA-N 2 1 173.219 1.276 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CCC2CCCCC2)C1 37741964 169253880 /nfs/dbraw/zinc/25/38/80/169253880.db2.gz XILKRPAGVLQLEM-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCCC2)C1 37741964 169253881 /nfs/dbraw/zinc/25/38/81/169253881.db2.gz XILKRPAGVLQLEM-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CCC2CCCC2)C1 88284537 169254538 /nfs/dbraw/zinc/25/45/38/169254538.db2.gz PPVDGMCPMDWEIX-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CCC2CCCC2)C1 88284537 169254539 /nfs/dbraw/zinc/25/45/39/169254539.db2.gz PPVDGMCPMDWEIX-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 82909779 169256579 /nfs/dbraw/zinc/25/65/79/169256579.db2.gz WZZKKLWADRBBJA-NXEZZACHSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl 82909775 169256996 /nfs/dbraw/zinc/25/69/96/169256996.db2.gz CCQRRWMLHMYSDE-PSASIEDQSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 82909778 169257073 /nfs/dbraw/zinc/25/70/73/169257073.db2.gz WZZKKLWADRBBJA-VHSXEESVSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 82909770 169257347 /nfs/dbraw/zinc/25/73/47/169257347.db2.gz YZDKIGULPZXELR-VHSXEESVSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl 82909774 169257507 /nfs/dbraw/zinc/25/75/07/169257507.db2.gz CCQRRWMLHMYSDE-WCBMZHEXSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1COCC[C@@H]1[NH2+]C1CCCCC1 91691186 169257632 /nfs/dbraw/zinc/25/76/32/169257632.db2.gz MLKNEUZNXACDJT-MNOVXSKESA-N 2 1 198.310 1.025 20 0 ADADMP [NH3+][C@@H]1COCC[C@H]1[NH2+]C1CCCCC1 91691184 169257681 /nfs/dbraw/zinc/25/76/81/169257681.db2.gz MLKNEUZNXACDJT-GHMZBOCLSA-N 2 1 198.310 1.025 20 0 ADADMP [NH3+][C@@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 82909771 169257781 /nfs/dbraw/zinc/25/77/81/169257781.db2.gz YZDKIGULPZXELR-NXEZZACHSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 255963500 169261101 /nfs/dbraw/zinc/26/11/01/169261101.db2.gz AWZOKHOIEDMSLL-ZSBIGDGJSA-N 2 1 188.274 1.076 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CCC2CCCC2)C1 88284536 169274572 /nfs/dbraw/zinc/27/45/72/169274572.db2.gz PPVDGMCPMDWEIX-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CCC2CCCC2)C1 88284536 169274573 /nfs/dbraw/zinc/27/45/73/169274573.db2.gz PPVDGMCPMDWEIX-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CCC2CCCCC2)C1 37741963 169275104 /nfs/dbraw/zinc/27/51/04/169275104.db2.gz XILKRPAGVLQLEM-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CCC2CCCCC2)C1 37741963 169275105 /nfs/dbraw/zinc/27/51/05/169275105.db2.gz XILKRPAGVLQLEM-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 82909777 169276553 /nfs/dbraw/zinc/27/65/53/169276553.db2.gz WZZKKLWADRBBJA-ZJUUUORDSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 82909769 169276826 /nfs/dbraw/zinc/27/68/26/169276826.db2.gz YZDKIGULPZXELR-ZJUUUORDSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccccc1Cl 82909772 169276979 /nfs/dbraw/zinc/27/69/79/169276979.db2.gz CCQRRWMLHMYSDE-WPRPVWTQSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl 82909773 169276998 /nfs/dbraw/zinc/27/69/98/169276998.db2.gz CCQRRWMLHMYSDE-SCZZXKLOSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1COCC[C@H]1[NH2+]C1CCCCC1 91691180 169277035 /nfs/dbraw/zinc/27/70/35/169277035.db2.gz MLKNEUZNXACDJT-WDEREUQCSA-N 2 1 198.310 1.025 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 82909768 169277104 /nfs/dbraw/zinc/27/71/04/169277104.db2.gz YZDKIGULPZXELR-UWVGGRQHSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 82909776 169277133 /nfs/dbraw/zinc/27/71/33/169277133.db2.gz WZZKKLWADRBBJA-UWVGGRQHSA-N 2 1 196.681 1.354 20 0 ADADMP [NH3+][C@H]1COCC[C@@H]1[NH2+]C1CCCCC1 91691182 169277636 /nfs/dbraw/zinc/27/76/36/169277636.db2.gz MLKNEUZNXACDJT-QWRGUYRKSA-N 2 1 198.310 1.025 20 0 ADADMP c1[nH+]c([C@H]2CC[NH2+]C2)n2c1CCCC2 82890415 169488176 /nfs/dbraw/zinc/48/81/76/169488176.db2.gz FAYUXUGABUZNOY-VIFPVBQESA-N 2 1 191.278 1.296 20 0 ADADMP c1[nH+]c([C@@H]2CC[NH2+]C2)n2c1CCCC2 82890414 169488393 /nfs/dbraw/zinc/48/83/93/169488393.db2.gz FAYUXUGABUZNOY-SECBINFHSA-N 2 1 191.278 1.296 20 0 ADADMP C[NH+]1CCC([NH2+]CC2CC2)CC1 19884648 171036814 /nfs/dbraw/zinc/03/68/14/171036814.db2.gz QSXZRJNFHGBICD-UHFFFAOYSA-N 2 1 168.284 1.080 20 0 ADADMP Cc1ccccc1[C@@H](C)[NH2+]CC[NH3+] 37712469 171037174 /nfs/dbraw/zinc/03/71/74/171037174.db2.gz CRWAVCCQGBZASB-SNVBAGLBSA-N 2 1 178.279 1.604 20 0 ADADMP Cc1ccccc1[C@H](C)[NH2+]CC[NH3+] 37712470 171037276 /nfs/dbraw/zinc/03/72/76/171037276.db2.gz CRWAVCCQGBZASB-JTQLQIEISA-N 2 1 178.279 1.604 20 0 ADADMP C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 68590715 171104761 /nfs/dbraw/zinc/10/47/61/171104761.db2.gz PWSJAIIKSWLWET-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 68590711 171104870 /nfs/dbraw/zinc/10/48/70/171104870.db2.gz PWSJAIIKSWLWET-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP C[N@H+]1CCCC12CCC([NH3+])CC2 96029003 171140949 /nfs/dbraw/zinc/14/09/49/171140949.db2.gz OAAWEORMUYQFKY-UHFFFAOYSA-N 2 1 168.284 1.352 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+]C(C2CC2)C2CC2)C1 43324738 171151017 /nfs/dbraw/zinc/15/10/17/171151017.db2.gz LWNNPRQNMAABAL-NSHDSACASA-N 2 1 194.322 1.517 20 0 ADADMP C[NH+]1CCC(C[NH2+]CC(F)F)CC1 44518338 171152631 /nfs/dbraw/zinc/15/26/31/171152631.db2.gz PSSNQOVGPPMLNA-UHFFFAOYSA-N 2 1 192.253 1.183 20 0 ADADMP C[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 306195375 171156379 /nfs/dbraw/zinc/15/63/79/171156379.db2.gz JALJBCFIYIASHF-LLVKDONJSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+]1CCC([NH2+]CC2CCCC2)CC1 37258214 171165628 /nfs/dbraw/zinc/16/56/28/171165628.db2.gz MEGFSOJBRPYLAQ-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 108289093 171167340 /nfs/dbraw/zinc/16/73/40/171167340.db2.gz SAKXPAXDGCDMDK-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 108307280 171167552 /nfs/dbraw/zinc/16/75/52/171167552.db2.gz HBQVBIPKJCMHEJ-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 108283783 171167764 /nfs/dbraw/zinc/16/77/64/171167764.db2.gz OSRYYMOOXMXUEM-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 108307301 171167830 /nfs/dbraw/zinc/16/78/30/171167830.db2.gz OXBLMRDMPAGVLG-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CC2(CCC2)C[N@H+]1CC(C)(C)[NH3+] 306930825 171177637 /nfs/dbraw/zinc/17/76/37/171177637.db2.gz BXSXICJJXKJNSV-SNVBAGLBSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1CC2(CCC2)C[N@H+]1CC(C)(C)[NH3+] 306930824 171178338 /nfs/dbraw/zinc/17/83/38/171178338.db2.gz BXSXICJJXKJNSV-JTQLQIEISA-N 2 1 196.338 1.988 20 0 ADADMP C[NH+]1CCC([NH2+][C@H]2CC2(C)C)CC1 45115407 171190071 /nfs/dbraw/zinc/19/00/71/171190071.db2.gz DHXJRPJLRXRGGX-JTQLQIEISA-N 2 1 182.311 1.469 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@@H]2CC23CC3)CC1 335302549 171201594 /nfs/dbraw/zinc/20/15/94/171201594.db2.gz PVJCJEXWGAQANL-JTQLQIEISA-N 2 1 194.322 1.470 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@H]2CC23CC3)CC1 335302550 171201889 /nfs/dbraw/zinc/20/18/89/171201889.db2.gz PVJCJEXWGAQANL-SNVBAGLBSA-N 2 1 194.322 1.470 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 335181352 171202059 /nfs/dbraw/zinc/20/20/59/171202059.db2.gz OWXBCAUAQZUSBM-WDEREUQCSA-N 2 1 194.322 1.661 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CCC23CCC3)C1 335181351 171202168 /nfs/dbraw/zinc/20/21/68/171202168.db2.gz OWXBCAUAQZUSBM-QWRGUYRKSA-N 2 1 194.322 1.661 20 0 ADADMP C[C@H]1CCSCC[N@H+]1CCC[NH3+] 306643554 171214229 /nfs/dbraw/zinc/21/42/29/171214229.db2.gz XAKWKPAUVJRROA-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP C[NH+]1CCC([NH2+]C2CCC2)CC1 44480631 171217835 /nfs/dbraw/zinc/21/78/35/171217835.db2.gz UICRHNQDNNTCLD-UHFFFAOYSA-N 2 1 168.284 1.223 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@@H]21 158485581 344127735 /nfs/dbraw/zinc/12/77/35/344127735.db2.gz INFOFSRVSWOXFA-DCAQKATOSA-N 2 1 182.311 1.598 20 0 ADADMP CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 158634390 344130128 /nfs/dbraw/zinc/13/01/28/344130128.db2.gz JVCXUXRCEXHSLS-VHSXEESVSA-N 2 1 168.284 1.223 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 161796595 344198220 /nfs/dbraw/zinc/19/82/20/344198220.db2.gz FUFUFNIGZZODED-UPOSSJBDSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)(C)C 162693554 344212207 /nfs/dbraw/zinc/21/22/07/344212207.db2.gz YDKXASSRQGCGMV-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 164645524 344248627 /nfs/dbraw/zinc/24/86/27/344248627.db2.gz DBOPDWHZXWABLL-QWRGUYRKSA-N 2 1 184.327 1.559 20 0 ADADMP CCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 164644565 344248634 /nfs/dbraw/zinc/24/86/34/344248634.db2.gz OQLSSGVWMITQLX-NXEZZACHSA-N 2 1 170.300 1.313 20 0 ADADMP CCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 164644448 344248665 /nfs/dbraw/zinc/24/86/65/344248665.db2.gz OQLSSGVWMITQLX-VHSXEESVSA-N 2 1 170.300 1.313 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2C[NH2+]C2)[C@H](C)C1 165184477 344259536 /nfs/dbraw/zinc/25/95/36/344259536.db2.gz UWEFAVGZQVVLFQ-NXEZZACHSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)[C@H]1CC[N@H+](C[C@H](C)[NH3+])C1 166051035 344273730 /nfs/dbraw/zinc/27/37/30/344273730.db2.gz PXARKVGDRKDAQU-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C1 166051160 344273838 /nfs/dbraw/zinc/27/38/38/344273838.db2.gz PXARKVGDRKDAQU-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 166068887 344274318 /nfs/dbraw/zinc/27/43/18/344274318.db2.gz OSRYYMOOXMXUEM-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP Cc1ccc([C@H]2C[NH2+]C[C@H]2[NH3+])cc1 211420418 344377943 /nfs/dbraw/zinc/37/79/43/344377943.db2.gz GZSKCZZWYMDVGL-GHMZBOCLSA-N 2 1 176.263 1.009 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 217542329 344402804 /nfs/dbraw/zinc/40/28/04/344402804.db2.gz JIRPTGYLEIONGT-MDHMXLOGSA-N 2 1 188.702 1.410 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 217652236 344404410 /nfs/dbraw/zinc/40/44/10/344404410.db2.gz MNLCNJCIXXRYRJ-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP CCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 219571976 344425673 /nfs/dbraw/zinc/42/56/73/344425673.db2.gz GFYIKWRCQRXRET-GFCCVEGCSA-N 2 1 196.338 1.862 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 221105279 344438151 /nfs/dbraw/zinc/43/81/51/344438151.db2.gz QQQWLQREPIQDPL-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 223303618 344459228 /nfs/dbraw/zinc/45/92/28/344459228.db2.gz LZYBSKDOLMMRJK-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 229633698 344608237 /nfs/dbraw/zinc/60/82/37/344608237.db2.gz GYLHSAHYVQCKII-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 232567033 344683362 /nfs/dbraw/zinc/68/33/62/344683362.db2.gz BMXGQBNZKQIZNE-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP CC1(C[NH2+][C@@H]2CCC[NH2+]C2)CCC1 233020899 344698671 /nfs/dbraw/zinc/69/86/71/344698671.db2.gz QTGHPQGKGQIIGK-SNVBAGLBSA-N 2 1 182.311 1.518 20 0 ADADMP CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 233030947 344699418 /nfs/dbraw/zinc/69/94/18/344699418.db2.gz AXMWDBNDWDFIRV-VIFPVBQESA-N 2 1 156.273 1.067 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC(C)(C)C1 235463165 344750432 /nfs/dbraw/zinc/75/04/32/344750432.db2.gz UOEJHQOUGQQZQO-ZJUUUORDSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCc2ccccc21 235463916 344750440 /nfs/dbraw/zinc/75/04/40/344750440.db2.gz ZYFDUCKHBXSKMO-SKDRFNHKSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC1(C)C 235463182 344750442 /nfs/dbraw/zinc/75/04/42/344750442.db2.gz RPYAJLRRZQETDS-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCCC1(C)C 235460049 344750461 /nfs/dbraw/zinc/75/04/61/344750461.db2.gz KVAWJZXCWCORAP-NXEZZACHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 235463455 344750465 /nfs/dbraw/zinc/75/04/65/344750465.db2.gz NOSLWXAVDKWRHR-YIZRAAEISA-N 2 1 156.273 1.112 20 0 ADADMP NCC[N@H+]1CCC2(CCCCC2)C1 238583584 344814359 /nfs/dbraw/zinc/81/43/59/344814359.db2.gz OKDFRFOADWNXLU-UHFFFAOYSA-N 2 1 182.311 1.601 20 0 ADADMP [NH3+]CCN1CCC2(CCCCC2)C1 238583584 344814360 /nfs/dbraw/zinc/81/43/60/344814360.db2.gz OKDFRFOADWNXLU-UHFFFAOYSA-N 2 1 182.311 1.601 20 0 ADADMP [NH3+]CC[N@@H+]1CCC2(CCCCC2)C1 238583584 344814361 /nfs/dbraw/zinc/81/43/61/344814361.db2.gz OKDFRFOADWNXLU-UHFFFAOYSA-N 2 1 182.311 1.601 20 0 ADADMP [NH3+]CC[N@H+]1CCC2(CCCCC2)C1 238583584 344814362 /nfs/dbraw/zinc/81/43/62/344814362.db2.gz OKDFRFOADWNXLU-UHFFFAOYSA-N 2 1 182.311 1.601 20 0 ADADMP CC(C)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 250495679 344834566 /nfs/dbraw/zinc/83/45/66/344834566.db2.gz IUTWKWRTLRWYRA-ZJUUUORDSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 250495679 344834567 /nfs/dbraw/zinc/83/45/67/344834567.db2.gz IUTWKWRTLRWYRA-ZJUUUORDSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 250496574 344834614 /nfs/dbraw/zinc/83/46/14/344834614.db2.gz JNZNQMQUHWOEOO-VHSXEESVSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H]1C[N@@H+](CC(C)C)CC[C@H]1[NH3+] 251642627 344862866 /nfs/dbraw/zinc/86/28/66/344862866.db2.gz GAVJZMMBTPDMJW-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]CC[NH3+])C[C@H]1C 251855667 344877468 /nfs/dbraw/zinc/87/74/68/344877468.db2.gz PKFFNNHFTAPYFF-BBBLOLIVSA-N 2 1 170.300 1.359 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252033226 344883135 /nfs/dbraw/zinc/88/31/35/344883135.db2.gz ZRDIHDCWJQFASO-UTUOFQBUSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 252137039 344887664 /nfs/dbraw/zinc/88/76/64/344887664.db2.gz LPYNCKMTSXWOJE-ZJUUUORDSA-N 2 1 168.284 1.080 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 252474517 344899446 /nfs/dbraw/zinc/89/94/46/344899446.db2.gz GYRZYXAGITYLSL-GHMZBOCLSA-N 2 1 184.327 1.572 20 0 ADADMP CC[C@H]1C[N@H+](C(C)C)CC[C@H]1[NH3+] 252679056 344907823 /nfs/dbraw/zinc/90/78/23/344907823.db2.gz YMGXWYLGNVEXDY-VHSXEESVSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@H]2CC[NH2+]C2)C1 252686063 344908375 /nfs/dbraw/zinc/90/83/75/344908375.db2.gz IZWLNEDAGGRRRB-MXWKQRLJSA-N 2 1 182.311 1.326 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252868245 344917262 /nfs/dbraw/zinc/91/72/62/344917262.db2.gz RKMPIHKORIFSPV-GARJFASQSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252867563 344917284 /nfs/dbraw/zinc/91/72/84/344917284.db2.gz RAZXLJDBKGVPIW-GARJFASQSA-N 2 1 182.311 1.454 20 0 ADADMP CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 259125845 344947323 /nfs/dbraw/zinc/94/73/23/344947323.db2.gz QDZZUJFLQLYBNT-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CCC1CC([NH2+]C2CC[NH+](C)CC2)C1 306462426 345322288 /nfs/dbraw/zinc/32/22/88/345322288.db2.gz GGSNPHCBSFVWOI-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306511391 345383300 /nfs/dbraw/zinc/38/33/00/345383300.db2.gz MUBHXLIAWXXFKS-MXWKQRLJSA-N 2 1 180.295 1.232 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306582532 345459771 /nfs/dbraw/zinc/45/97/71/345459771.db2.gz DLVMVUOMDMOZBI-SDDRHHMPSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC1(C)C 306615932 345489260 /nfs/dbraw/zinc/48/92/60/345489260.db2.gz BSQPIXCECDZKKI-SFYZADRCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC1(C)C 306615933 345489282 /nfs/dbraw/zinc/48/92/82/345489282.db2.gz BSQPIXCECDZKKI-YUMQZZPRSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC1(C)C 306615931 345489296 /nfs/dbraw/zinc/48/92/96/345489296.db2.gz BSQPIXCECDZKKI-JGVFFNPUSA-N 2 1 156.273 1.112 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 306708647 345562415 /nfs/dbraw/zinc/56/24/15/345562415.db2.gz PBWOQHLKWNAKRH-IUCAKERBSA-N 2 1 168.284 1.127 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CC1(C)C 307108530 345814354 /nfs/dbraw/zinc/81/43/54/345814354.db2.gz GIYVAELGDMNCGI-NSHDSACASA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CC1CCCCC1 307158925 345851202 /nfs/dbraw/zinc/85/12/02/345851202.db2.gz TZCUWYDYADAAIM-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 307210684 345894239 /nfs/dbraw/zinc/89/42/39/345894239.db2.gz MSQIVGFWYUWTKW-GWOFURMSSA-N 2 1 182.311 1.373 20 0 ADADMP CCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307438560 346040107 /nfs/dbraw/zinc/04/01/07/346040107.db2.gz MRSLNYHFSZVFKC-ZJUUUORDSA-N 2 1 168.284 1.080 20 0 ADADMP CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307438560 346040108 /nfs/dbraw/zinc/04/01/08/346040108.db2.gz MRSLNYHFSZVFKC-ZJUUUORDSA-N 2 1 168.284 1.080 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307598969 346138638 /nfs/dbraw/zinc/13/86/38/346138638.db2.gz PMCSCTRHPLHUMT-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)[NH2+]CC1=CC[N@@H+](C)CC1 307653125 346167389 /nfs/dbraw/zinc/16/73/89/346167389.db2.gz TZPDHYHLHCDCSS-UHFFFAOYSA-N 2 1 168.284 1.246 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@H](C)C1 308579800 346313018 /nfs/dbraw/zinc/31/30/18/346313018.db2.gz GCGOAFXCTXPZBF-PWSUYJOCSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 334976150 346372798 /nfs/dbraw/zinc/37/27/98/346372798.db2.gz VMZIIDUINWYHSB-RYUDHWBXSA-N 2 1 196.338 1.716 20 0 ADADMP CCC[N@H+]1CC2(CC[NH2+]CC2)C[C@H]1C 335276976 346385726 /nfs/dbraw/zinc/38/57/26/346385726.db2.gz GBJIWRPXDXNHGS-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@H+]1CC2(CC[NH2+]CC2)C[C@@H]1C 335276978 346385732 /nfs/dbraw/zinc/38/57/32/346385732.db2.gz GBJIWRPXDXNHGS-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CCC1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 335515744 346402403 /nfs/dbraw/zinc/40/24/03/346402403.db2.gz QMOSKKHYNKXHAH-WNYYMSAVSA-N 2 1 196.338 1.763 20 0 ADADMP CCC1CC([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 335515757 346402413 /nfs/dbraw/zinc/40/24/13/346402413.db2.gz QMOSKKHYNKXHAH-YYJSSNLHSA-N 2 1 196.338 1.763 20 0 ADADMP CCC1CC([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 335539339 346404035 /nfs/dbraw/zinc/40/40/35/346404035.db2.gz VMXXVIOBFQNORE-YYJSSNLHSA-N 2 1 196.338 1.905 20 0 ADADMP CCC1CC([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 335539338 346404059 /nfs/dbraw/zinc/40/40/59/346404059.db2.gz VMXXVIOBFQNORE-XKGSQUFQSA-N 2 1 196.338 1.905 20 0 ADADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CC3)[C@@H]2C1 335558119 346404935 /nfs/dbraw/zinc/40/49/35/346404935.db2.gz CRBZTLZHZPCURI-NWDGAFQWSA-N 2 1 194.322 1.422 20 0 ADADMP C[C@H]1CCC[N@H+]1CCn1ccnc1 336631413 346480574 /nfs/dbraw/zinc/48/05/74/346480574.db2.gz JQMQCTBCLPIOJF-JTQLQIEISA-N 2 1 179.267 1.367 20 0 ADADMP Cc1cnccc1C[N@H+](C)CCC[NH3+] 395369554 346586842 /nfs/dbraw/zinc/58/68/42/346586842.db2.gz MNPKVFQNZPYMKJ-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 605421298 346970799 /nfs/dbraw/zinc/97/07/99/346970799.db2.gz UBPOGNVFIQXZDV-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 605421298 346970800 /nfs/dbraw/zinc/97/08/00/346970800.db2.gz UBPOGNVFIQXZDV-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 605421298 346970802 /nfs/dbraw/zinc/97/08/02/346970802.db2.gz UBPOGNVFIQXZDV-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[N@H+](C)C1CC[NH+](CC)CC1 607150741 346988572 /nfs/dbraw/zinc/98/85/72/346988572.db2.gz SGXYXVPWQXWXDP-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP CCC[N@@H+](C)C1CC[NH+](CC)CC1 607150741 346988573 /nfs/dbraw/zinc/98/85/73/346988573.db2.gz SGXYXVPWQXWXDP-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621778153 347233162 /nfs/dbraw/zinc/23/31/62/347233162.db2.gz LHSRQSRSDLWVTH-NWDGAFQWSA-N 2 1 196.338 1.846 20 0 ADADMP CCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621777814 347233306 /nfs/dbraw/zinc/23/33/06/347233306.db2.gz HNKWSFTWOUESFX-NWDGAFQWSA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621779078 347233945 /nfs/dbraw/zinc/23/39/45/347233945.db2.gz ZLBDPVMRFLSMKH-ZJUUUORDSA-N 2 1 168.284 1.208 20 0 ADADMP CC[C@H]([NH3+])C[NH2+]Cc1ccncc1C 629649669 347353868 /nfs/dbraw/zinc/35/38/68/347353868.db2.gz YWJZRWMGCVHXJV-NSHDSACASA-N 2 1 193.294 1.217 20 0 ADADMP [NH3+][C@H]1CCCCC[N@@H+](CCCF)C1 631834882 347389299 /nfs/dbraw/zinc/38/92/99/347389299.db2.gz HPSKWAPEYDHSRF-JTQLQIEISA-N 2 1 188.290 1.549 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CCC1 631861883 347392369 /nfs/dbraw/zinc/39/23/69/347392369.db2.gz JNKVZQYCNIFDCF-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP CCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643070692 352936751 /nfs/dbraw/zinc/93/67/51/352936751.db2.gz KTZWUSBZAGAWMF-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+]CC[NH3+])c1C 643078794 352937520 /nfs/dbraw/zinc/93/75/20/352937520.db2.gz YAIYRMMXUYLBKY-LLVKDONJSA-N 2 1 192.306 1.913 20 0 ADADMP CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077695 352937743 /nfs/dbraw/zinc/93/77/43/352937743.db2.gz XAGUPBOJFSYJEY-IVZWLZJFSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)=CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643484516 352962769 /nfs/dbraw/zinc/96/27/69/352962769.db2.gz PPVFXKFFIYCUHN-NWDGAFQWSA-N 2 1 196.338 1.930 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C)CC1 643486465 352963667 /nfs/dbraw/zinc/96/36/67/352963667.db2.gz JSPWPMWSUGORIP-MNOVXSKESA-N 2 1 196.338 1.764 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCCC[C@@H]1C1CC1 643495845 352969040 /nfs/dbraw/zinc/96/90/40/352969040.db2.gz SKLNGTFAVBPOCA-MNOVXSKESA-N 2 1 182.311 1.504 20 0 ADADMP C[NH2+]CCC[NH2+][C@H](C)c1ccoc1 643498360 352970958 /nfs/dbraw/zinc/97/09/58/352970958.db2.gz HFKBIFAJYIRATB-SECBINFHSA-N 2 1 182.267 1.540 20 0 ADADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccoc1 643498361 352971204 /nfs/dbraw/zinc/97/12/04/352971204.db2.gz HFKBIFAJYIRATB-VIFPVBQESA-N 2 1 182.267 1.540 20 0 ADADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[NH2+]C 643504780 352977048 /nfs/dbraw/zinc/97/70/48/352977048.db2.gz NVWGIMCUOMJJNT-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CC1 643512583 352983297 /nfs/dbraw/zinc/98/32/97/352983297.db2.gz CNOPTYZZVAVUPE-MNOVXSKESA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C)C1C(C)(C)C1(C)C 643519809 352991178 /nfs/dbraw/zinc/99/11/78/352991178.db2.gz GZUIBQBBNGHQPU-RKDXNWHRSA-N 2 1 198.354 1.994 20 0 ADADMP CC[C@H]1CCCC[C@H]1[NH2+][C@H](C)C[NH3+] 643519789 352991229 /nfs/dbraw/zinc/99/12/29/352991229.db2.gz CRPNXXCAQASFGR-OUAUKWLOSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)=CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643484517 352962650 /nfs/dbraw/zinc/96/26/50/352962650.db2.gz PPVFXKFFIYCUHN-RYUDHWBXSA-N 2 1 196.338 1.930 20 0 ADADMP C[C@H]([NH2+][C@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]1 665276001 409864220 /nfs/dbraw/zinc/86/42/20/409864220.db2.gz WSVKHQSWFSVVHZ-JBLDHEPKSA-N 2 1 196.338 1.905 20 0 ADADMP Cn1cc[nH+]c1[C@@H]1CC[C@@H]([NH3+])C1 70636452 325605249 /nfs/dbraw/zinc/60/52/49/325605249.db2.gz JWYQRFJELQQJKJ-HTQZYQBOSA-N 2 1 165.240 1.015 20 0 ADADMP CCn1cc[nH+]c1[C@@H]1CC[C@@H]([NH3+])C1 70636605 325605339 /nfs/dbraw/zinc/60/53/39/325605339.db2.gz JQLSEXZPQJOVQJ-RKDXNWHRSA-N 2 1 179.267 1.498 20 0 ADADMP Cn1cc[nH+]c1[C@@H]1CC[C@H]([NH3+])C1 70636448 325605357 /nfs/dbraw/zinc/60/53/57/325605357.db2.gz JWYQRFJELQQJKJ-SFYZADRCSA-N 2 1 165.240 1.015 20 0 ADADMP Cn1cc[nH+]c1[C@H]1CC[C@H]([NH3+])C1 70636450 325605415 /nfs/dbraw/zinc/60/54/15/325605415.db2.gz JWYQRFJELQQJKJ-YUMQZZPRSA-N 2 1 165.240 1.015 20 0 ADADMP C[NH2+][C@H](C[NH+]1CCCCC1)C(C)C 87527760 325611681 /nfs/dbraw/zinc/61/16/81/325611681.db2.gz YSVRBEAADTYJNS-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)C[C@H]([NH2+]C)C(C)C 87527451 325611686 /nfs/dbraw/zinc/61/16/86/325611686.db2.gz QCPYGCLQJCMNOG-JTQLQIEISA-N 2 1 172.316 1.572 20 0 ADADMP C[NH+]1CCC([NH2+]CC2CC=CC2)CC1 527750193 325649919 /nfs/dbraw/zinc/64/99/19/325649919.db2.gz GXLGIGPEXZIKGY-UHFFFAOYSA-N 2 1 194.322 1.636 20 0 ADADMP CCC[N@@H+](C)CC(C)(C)C[NH3+] 17666118 343047123 /nfs/dbraw/zinc/04/71/23/343047123.db2.gz IZRNPHNCWWJOLT-UHFFFAOYSA-N 2 1 158.289 1.313 20 0 ADADMP CCCC[N@@H+](C)C[C@@H](C)[NH3+] 19280220 343052971 /nfs/dbraw/zinc/05/29/71/343052971.db2.gz KKYAVQDTPDXVOL-MRVPVSSYSA-N 2 1 144.262 1.066 20 0 in-vitro ADADMP CCCC[N@@H+]1CCC[C@H]1C[NH3+] 19843285 343062034 /nfs/dbraw/zinc/06/20/34/343062034.db2.gz VRKXUSCKISXSIH-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CCCC[N@H+]1CCC[C@H]1C[NH3+] 19843285 343062037 /nfs/dbraw/zinc/06/20/37/343062037.db2.gz VRKXUSCKISXSIH-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 19881905 343063209 /nfs/dbraw/zinc/06/32/09/343063209.db2.gz SEYPRYDJCSSFKM-JTQLQIEISA-N 2 1 184.327 1.859 20 0 ADADMP CCC(CC)[NH2+]C1CC[NH+](C)CC1 19883749 343063508 /nfs/dbraw/zinc/06/35/08/343063508.db2.gz VZTMNZQOWBJLRI-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC(C)c1[nH+]ccn1C[C@@H](C)[NH3+] 20261900 343070409 /nfs/dbraw/zinc/07/04/09/343070409.db2.gz PAXARLCEQXZUFX-MRVPVSSYSA-N 2 1 167.256 1.354 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H](CC[NH3+])C1 20439793 343073095 /nfs/dbraw/zinc/07/30/95/343073095.db2.gz AVAJGZBXAJATKR-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)[N@H+]1CCC[C@H](CC[NH3+])C1 20439797 343073110 /nfs/dbraw/zinc/07/31/10/343073110.db2.gz AVAJGZBXAJATKR-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CC1CCC([NH2+]CC[NH3+])CC1 22870526 343082210 /nfs/dbraw/zinc/08/22/10/343082210.db2.gz XILFVEGMBDJWCJ-UHFFFAOYSA-N 2 1 156.273 1.113 20 0 ADADMP CCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994432 343095168 /nfs/dbraw/zinc/09/51/68/343095168.db2.gz QZEJPUFUSXWSFD-LLVKDONJSA-N 2 1 182.311 1.472 20 0 ADADMP CCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994435 343095292 /nfs/dbraw/zinc/09/52/92/343095292.db2.gz QZEJPUFUSXWSFD-NSHDSACASA-N 2 1 182.311 1.472 20 0 ADADMP CCCC[N@H+]1CCC[C@H]([NH3+])C1 31993076 343095327 /nfs/dbraw/zinc/09/53/27/343095327.db2.gz UMCIOSORCRSDRN-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994419 343095336 /nfs/dbraw/zinc/09/53/36/343095336.db2.gz VFJCSHMVTUUZBU-SNVBAGLBSA-N 2 1 168.284 1.082 20 0 ADADMP CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994422 343095438 /nfs/dbraw/zinc/09/54/38/343095438.db2.gz VFJCSHMVTUUZBU-JTQLQIEISA-N 2 1 168.284 1.082 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@H](C1)C2[NH3+] 32629161 343103002 /nfs/dbraw/zinc/10/30/02/343103002.db2.gz WZTINSOFBXMMQI-ZACCUICWSA-N 2 1 182.311 1.456 20 0 ADADMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 34370466 343117702 /nfs/dbraw/zinc/11/77/02/343117702.db2.gz UADZBVXKQFURSB-VHSXEESVSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 34370466 343117704 /nfs/dbraw/zinc/11/77/04/343117704.db2.gz UADZBVXKQFURSB-VHSXEESVSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 34370467 343117892 /nfs/dbraw/zinc/11/78/92/343117892.db2.gz UADZBVXKQFURSB-UWVGGRQHSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCCC1 34583375 343122677 /nfs/dbraw/zinc/12/26/77/343122677.db2.gz WIHVXUIGWLONNV-LBPRGKRZSA-N 2 1 196.338 1.957 20 0 ADADMP CCC[N@@H+](C)C1CC[NH2+]CC1 37098535 343159650 /nfs/dbraw/zinc/15/96/50/343159650.db2.gz XWFPVKLYWVTYAS-UHFFFAOYSA-N 2 1 156.273 1.080 20 0 ADADMP C[N@@H+](CC1CC1)C1CC[NH2+]CC1 36300561 343143325 /nfs/dbraw/zinc/14/33/25/343143325.db2.gz ZGMCKRSPXWWEAO-UHFFFAOYSA-N 2 1 168.284 1.080 20 0 ADADMP CC(C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C 36907471 343153713 /nfs/dbraw/zinc/15/37/13/343153713.db2.gz LDYUEKKZBOXMCU-GMTAPVOTSA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C 36907472 343153737 /nfs/dbraw/zinc/15/37/37/343153737.db2.gz LDYUEKKZBOXMCU-OUAUKWLOSA-N 2 1 184.327 1.713 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC2CC2)[C@H](C)C[N@H+]1C 36907498 343154017 /nfs/dbraw/zinc/15/40/17/343154017.db2.gz KFKLWVPTFCIDTN-JFGNBEQYSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CC2)[C@H](C)C[N@H+]1C 36907416 343154028 /nfs/dbraw/zinc/15/40/28/343154028.db2.gz OBSZKLARRAHWGA-YWVKMMECSA-N 2 1 182.311 1.467 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36996984 343157276 /nfs/dbraw/zinc/15/72/76/343157276.db2.gz LKCSAZGEXCJBMU-WDEREUQCSA-N 2 1 182.311 1.611 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 37092908 343159244 /nfs/dbraw/zinc/15/92/44/343159244.db2.gz HKEPRXRWISRBDO-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCC1 37092907 343159362 /nfs/dbraw/zinc/15/93/62/343159362.db2.gz RPVFVTYGBUCQNC-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP C1CC1C[NH2+]C1CC[NH+](C2CC2)CC1 37141060 343160934 /nfs/dbraw/zinc/16/09/34/343160934.db2.gz YANIXNCAHBOLQP-UHFFFAOYSA-N 2 1 194.322 1.613 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 37208393 343162762 /nfs/dbraw/zinc/16/27/62/343162762.db2.gz YAPUYXNNUOFLIN-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 37208392 343162818 /nfs/dbraw/zinc/16/28/18/343162818.db2.gz YAPUYXNNUOFLIN-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 37241365 343163589 /nfs/dbraw/zinc/16/35/89/343163589.db2.gz ZGUXHGINAXZIOQ-IUCAKERBSA-N 2 1 156.273 1.079 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 37241365 343163591 /nfs/dbraw/zinc/16/35/91/343163591.db2.gz ZGUXHGINAXZIOQ-IUCAKERBSA-N 2 1 156.273 1.079 20 0 ADADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 37249042 343164211 /nfs/dbraw/zinc/16/42/11/343164211.db2.gz XBAYTJRCQGSGMF-VIFPVBQESA-N 2 1 182.311 1.469 20 0 ADADMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 37484192 343171421 /nfs/dbraw/zinc/17/14/21/343171421.db2.gz UWDPMTKYKBBGGX-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 37484193 343171607 /nfs/dbraw/zinc/17/16/07/343171607.db2.gz UWDPMTKYKBBGGX-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP Cc1cc(NCC[NH+](C)C)nc(C)[nH+]1 37498666 343172227 /nfs/dbraw/zinc/17/22/27/343172227.db2.gz UOEXAWKVBYSUPH-UHFFFAOYSA-N 2 1 194.282 1.067 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC[NH3+])CC(C)(C)C1 37712565 343176116 /nfs/dbraw/zinc/17/61/16/343176116.db2.gz RYVNTQILYKWKEE-UWVGGRQHSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+]CC[NH3+])C1 37712302 343176158 /nfs/dbraw/zinc/17/61/58/343176158.db2.gz OPASVQUJHANLIR-IUCAKERBSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+]CC[NH3+] 37712296 343176180 /nfs/dbraw/zinc/17/61/80/343176180.db2.gz BVMYXYOLIIIZSX-DTWKUNHWSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC[NH3+])CC(C)(C)C1 37712567 343176234 /nfs/dbraw/zinc/17/62/34/343176234.db2.gz RYVNTQILYKWKEE-VHSXEESVSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 37712304 343176335 /nfs/dbraw/zinc/17/63/35/343176335.db2.gz OPASVQUJHANLIR-DTWKUNHWSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@H]1CCC[C@H](C)C1[NH2+]CC[NH3+] 37712306 343176345 /nfs/dbraw/zinc/17/63/45/343176345.db2.gz LELQSKPWCIRQKI-IUCAKERBSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 37712294 343176372 /nfs/dbraw/zinc/17/63/72/343176372.db2.gz BVMYXYOLIIIZSX-IUCAKERBSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 37911185 343180473 /nfs/dbraw/zinc/18/04/73/343180473.db2.gz YWPPMDPWTSYSBW-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 37911177 343180524 /nfs/dbraw/zinc/18/05/24/343180524.db2.gz HJDHCLSOZCBFLG-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 37913593 343180920 /nfs/dbraw/zinc/18/09/20/343180920.db2.gz CPMOSGHENLHPAW-BDAKNGLRSA-N 2 1 156.273 1.208 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 37914174 343180934 /nfs/dbraw/zinc/18/09/34/343180934.db2.gz FJSZQMMVGDHUAE-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] 37913592 343181057 /nfs/dbraw/zinc/18/10/57/343181057.db2.gz CPMOSGHENLHPAW-RKDXNWHRSA-N 2 1 156.273 1.208 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 37914173 343181144 /nfs/dbraw/zinc/18/11/44/343181144.db2.gz FJSZQMMVGDHUAE-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP Cc1[nH+]ccn1CCn1cc[nH+]c1C 38392144 343188338 /nfs/dbraw/zinc/18/83/38/343188338.db2.gz IDCBWKPFWWHANV-UHFFFAOYSA-N 2 1 190.250 1.397 20 0 ADADMP CC(C)[NH2+]C[C@@H]1CCCC[NH2+]1 40398196 343217374 /nfs/dbraw/zinc/21/73/74/343217374.db2.gz PKNXDWVJVJUYCR-VIFPVBQESA-N 2 1 156.273 1.127 20 0 ADADMP CC(C)[NH2+]C[C@H]1CCCC[NH2+]1 40398198 343217512 /nfs/dbraw/zinc/21/75/12/343217512.db2.gz PKNXDWVJVJUYCR-SECBINFHSA-N 2 1 156.273 1.127 20 0 ADADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC2CC2)C1 40622807 343220603 /nfs/dbraw/zinc/22/06/03/343220603.db2.gz UDBASXBALWFFEU-GFCCVEGCSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC2CC2)C1 40622810 343220772 /nfs/dbraw/zinc/22/07/72/343220772.db2.gz UDBASXBALWFFEU-LBPRGKRZSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 40718452 343221657 /nfs/dbraw/zinc/22/16/57/343221657.db2.gz COUBHGOFOAFWFR-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 40725237 343222290 /nfs/dbraw/zinc/22/22/90/343222290.db2.gz MVRCEZDUFJIWBW-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 40725233 343222431 /nfs/dbraw/zinc/22/24/31/343222431.db2.gz VAPHSRVSOIYBJE-JTQLQIEISA-N 2 1 182.311 1.328 20 0 ADADMP CCCC[N@H+]1CCC[C@@H]([NH3+])C1 40740110 343222852 /nfs/dbraw/zinc/22/28/52/343222852.db2.gz UMCIOSORCRSDRN-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP C[C@H]1C[C@H](C)CN(CC(C)(C)[NH3+])C1 40925807 343224061 /nfs/dbraw/zinc/22/40/61/343224061.db2.gz LKNODSQCBVNBAH-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H]1CCCN(CC(C)(C)[NH3+])C1 40925988 343224111 /nfs/dbraw/zinc/22/41/11/343224111.db2.gz SBIGBROFEQTMNC-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCSC1 40925915 343224168 /nfs/dbraw/zinc/22/41/68/343224168.db2.gz SOMUDCWUUCDVOI-QMMMGPOBSA-N 2 1 188.340 1.161 20 0 ADADMP CN(CC(C)(C)[NH3+])C1CCCCC1 40925792 343224191 /nfs/dbraw/zinc/22/41/91/343224191.db2.gz UTNQNOOTXDCRRZ-UHFFFAOYSA-N 2 1 184.327 1.988 20 0 ADADMP CCCN(CC)CC(C)(C)[NH3+] 40925874 343224215 /nfs/dbraw/zinc/22/42/15/343224215.db2.gz QATFQZSHDSNZFO-UHFFFAOYSA-N 2 1 158.289 1.456 20 0 ADADMP C[C@H]1C[C@@H](C)CN(CC(C)(C)[NH3+])C1 40925804 343224231 /nfs/dbraw/zinc/22/42/31/343224231.db2.gz LKNODSQCBVNBAH-AOOOYVTPSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@@H]1CCCN(CC(C)(C)[NH3+])C1 40925985 343224263 /nfs/dbraw/zinc/22/42/63/343224263.db2.gz SBIGBROFEQTMNC-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP CN(CC(C)(C)[NH3+])C1CCCC1 40925872 343224364 /nfs/dbraw/zinc/22/43/64/343224364.db2.gz SUGOWBBJNFHNKQ-UHFFFAOYSA-N 2 1 170.300 1.598 20 0 ADADMP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCSC1 40925912 343224371 /nfs/dbraw/zinc/22/43/71/343224371.db2.gz SOMUDCWUUCDVOI-MRVPVSSYSA-N 2 1 188.340 1.161 20 0 ADADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 40926102 343224517 /nfs/dbraw/zinc/22/45/17/343224517.db2.gz HPOVDXWLEBHUKG-QMMMGPOBSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] 40926042 343224691 /nfs/dbraw/zinc/22/46/91/343224691.db2.gz CNKUBEOXDJPCGV-VIFPVBQESA-N 2 1 170.300 1.598 20 0 ADADMP C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] 40926036 343224744 /nfs/dbraw/zinc/22/47/44/343224744.db2.gz REXBGBCETQCMHZ-QMMMGPOBSA-N 2 1 156.273 1.208 20 0 ADADMP CC[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] 40926039 343224754 /nfs/dbraw/zinc/22/47/54/343224754.db2.gz CNKUBEOXDJPCGV-SECBINFHSA-N 2 1 170.300 1.598 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C(C)C 42409840 343241679 /nfs/dbraw/zinc/24/16/79/343241679.db2.gz JKAWMJZLXVMWSU-UHFFFAOYSA-N 2 1 167.256 1.190 20 0 ADADMP CC[C@H](C)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C1 42556577 343246788 /nfs/dbraw/zinc/24/67/88/343246788.db2.gz CILRSPPOCUMSKH-GUBZILKMSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)[C@H](C)[N@H+]1CC[C@H]([NH3+])C1 42556577 343246790 /nfs/dbraw/zinc/24/67/90/343246790.db2.gz CILRSPPOCUMSKH-GUBZILKMSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)[C@@H](C)[N@@H+]1CC[C@H]([NH3+])C1 42556572 343246803 /nfs/dbraw/zinc/24/68/03/343246803.db2.gz CILRSPPOCUMSKH-AEJSXWLSSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)[C@@H](C)[N@H+]1CC[C@H]([NH3+])C1 42556572 343246805 /nfs/dbraw/zinc/24/68/05/343246805.db2.gz CILRSPPOCUMSKH-AEJSXWLSSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 43323695 343251151 /nfs/dbraw/zinc/25/11/51/343251151.db2.gz GWVVXJMCDDFHRV-IUCAKERBSA-N 2 1 156.273 1.127 20 0 ADADMP CC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43323691 343251173 /nfs/dbraw/zinc/25/11/73/343251173.db2.gz GWVVXJMCDDFHRV-DTWKUNHWSA-N 2 1 156.273 1.127 20 0 ADADMP CC(C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43325270 343251178 /nfs/dbraw/zinc/25/11/78/343251178.db2.gz PJBFCOBIZDLKIE-VHSXEESVSA-N 2 1 170.300 1.373 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 43325498 343251196 /nfs/dbraw/zinc/25/11/96/343251196.db2.gz FQUXLIXXFVRKTK-WCBMZHEXSA-N 2 1 168.284 1.127 20 0 ADADMP CC(C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43325268 343251245 /nfs/dbraw/zinc/25/12/45/343251245.db2.gz PJBFCOBIZDLKIE-NXEZZACHSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 43325274 343251322 /nfs/dbraw/zinc/25/13/22/343251322.db2.gz PJBFCOBIZDLKIE-UWVGGRQHSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 43325272 343251403 /nfs/dbraw/zinc/25/14/03/343251403.db2.gz PJBFCOBIZDLKIE-ZJUUUORDSA-N 2 1 170.300 1.373 20 0 ADADMP CC1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 43324169 343251437 /nfs/dbraw/zinc/25/14/37/343251437.db2.gz JRMBYNLECXKERJ-MCIGGMRASA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 43325502 343251500 /nfs/dbraw/zinc/25/15/00/343251500.db2.gz FQUXLIXXFVRKTK-WPRPVWTQSA-N 2 1 168.284 1.127 20 0 ADADMP CCC1CC[NH+](C[C@@H](C)[NH3+])CC1 44383205 343264620 /nfs/dbraw/zinc/26/46/20/343264620.db2.gz IMOKVQZWKSMQAE-SECBINFHSA-N 2 1 170.300 1.456 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)C)C1 44532556 343267176 /nfs/dbraw/zinc/26/71/76/343267176.db2.gz BKQZCFFLKQJBMR-LLVKDONJSA-N 2 1 198.354 1.964 20 0 ADADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC2)C1 44532726 343267245 /nfs/dbraw/zinc/26/72/45/343267245.db2.gz PVZIBAGATWTEJZ-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)C)C1 44532554 343267251 /nfs/dbraw/zinc/26/72/51/343267251.db2.gz BKQZCFFLKQJBMR-NSHDSACASA-N 2 1 198.354 1.964 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]CC(C)(C)C 49330320 343274897 /nfs/dbraw/zinc/27/48/97/343274897.db2.gz FCJQOIZRGFMOFK-UHFFFAOYSA-N 2 1 195.310 1.827 20 0 ADADMP Cc1[nH+]ccn1CC[NH2+]C1CCCC1 49329687 343275112 /nfs/dbraw/zinc/27/51/12/343275112.db2.gz VDKNBIONSHVYTF-UHFFFAOYSA-N 2 1 193.294 1.724 20 0 ADADMP C[N@@H+](CC1CCCC1)C1CC[NH2+]CC1 48733251 343275244 /nfs/dbraw/zinc/27/52/44/343275244.db2.gz DYONMMBLOGHHQI-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](CCC[NH3+])C(C)(C)C 49804499 343276557 /nfs/dbraw/zinc/27/65/57/343276557.db2.gz DLASDBICQCQQHK-UHFFFAOYSA-N 2 1 144.262 1.066 20 0 ADADMP CCC(CC)C[N@@H+]1CC[C@@H]([NH3+])C1 50227861 343279969 /nfs/dbraw/zinc/27/99/69/343279969.db2.gz KCDWFTWCOZFAHM-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@@H]([NH3+])C1 50227861 343279971 /nfs/dbraw/zinc/27/99/71/343279971.db2.gz KCDWFTWCOZFAHM-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CCC(CC)C[N@@H+]1CC[C@H]([NH3+])C1 50227860 343280169 /nfs/dbraw/zinc/28/01/69/343280169.db2.gz KCDWFTWCOZFAHM-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@H]([NH3+])C1 50227860 343280172 /nfs/dbraw/zinc/28/01/72/343280172.db2.gz KCDWFTWCOZFAHM-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1C 50563675 343284211 /nfs/dbraw/zinc/28/42/11/343284211.db2.gz HTNLWEMPQBLJFA-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] 51215947 343289508 /nfs/dbraw/zinc/28/95/08/343289508.db2.gz LWQPYMSYQLTWOT-JTQLQIEISA-N 2 1 186.343 1.949 20 0 ADADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH3+])C1 51249959 343289575 /nfs/dbraw/zinc/28/95/75/343289575.db2.gz ARHNBKNDULHGBX-VIFPVBQESA-N 2 1 170.300 1.313 20 0 ADADMP CCCC[N@@H+](C)CC(C)(C)C[NH3+] 51211462 343289598 /nfs/dbraw/zinc/28/95/98/343289598.db2.gz YMLNHUBXVFLCLY-UHFFFAOYSA-N 2 1 172.316 1.703 20 0 ADADMP CC(C)[N@@H+](C)CC(C)(C)C[NH3+] 51210882 343289675 /nfs/dbraw/zinc/28/96/75/343289675.db2.gz OTHNVYCGNRKUMU-UHFFFAOYSA-N 2 1 158.289 1.312 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51214669 343289763 /nfs/dbraw/zinc/28/97/63/343289763.db2.gz IOJOMFDKWVNUPU-VIFPVBQESA-N 2 1 172.316 1.702 20 0 ADADMP C[N@@H+](CC1CC1)CC(C)(C)C[NH3+] 51249722 343289813 /nfs/dbraw/zinc/28/98/13/343289813.db2.gz XVCPIRMITVUCBV-UHFFFAOYSA-N 2 1 170.300 1.313 20 0 ADADMP Cc1[nH+]ccn1CC[C@@H]1CCC[NH2+]C1 51919814 343295469 /nfs/dbraw/zinc/29/54/69/343295469.db2.gz YSJVNUUQNMXGJA-NSHDSACASA-N 2 1 193.294 1.581 20 0 ADADMP CC(C)c1[nH+]ccn1C[C@H]1CC[NH2+]C1 51890344 343295480 /nfs/dbraw/zinc/29/54/80/343295480.db2.gz AECSXHJLQOAAMX-JTQLQIEISA-N 2 1 193.294 1.616 20 0 ADADMP CCc1[nH+]ccn1C[C@H]1CC[NH2+]C1 51890462 343295538 /nfs/dbraw/zinc/29/55/38/343295538.db2.gz ZMQXTOJXZIWDRS-VIFPVBQESA-N 2 1 179.267 1.055 20 0 ADADMP Cc1[nH+]ccn1CC[C@H]1CCC[NH2+]C1 51919816 343295542 /nfs/dbraw/zinc/29/55/42/343295542.db2.gz YSJVNUUQNMXGJA-LLVKDONJSA-N 2 1 193.294 1.581 20 0 ADADMP CC(C)c1[nH+]ccn1C[C@@H]1CC[NH2+]C1 51890341 343295662 /nfs/dbraw/zinc/29/56/62/343295662.db2.gz AECSXHJLQOAAMX-SNVBAGLBSA-N 2 1 193.294 1.616 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 51919106 343295675 /nfs/dbraw/zinc/29/56/75/343295675.db2.gz GSJYSVAOMSOCPQ-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 51919084 343295701 /nfs/dbraw/zinc/29/57/01/343295701.db2.gz WZQOZRZLKXBWPR-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 51889520 343295817 /nfs/dbraw/zinc/29/58/17/343295817.db2.gz DQMDUFARHNIDPY-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889569 343295831 /nfs/dbraw/zinc/29/58/31/343295831.db2.gz LPYNCKMTSXWOJE-VHSXEESVSA-N 2 1 168.284 1.080 20 0 ADADMP Cc1[nH+]cn(C[C@H]2CC[NH2+]C2)c1C 51927077 343295917 /nfs/dbraw/zinc/29/59/17/343295917.db2.gz BEOSRSOCNSOAFW-JTQLQIEISA-N 2 1 179.267 1.109 20 0 ADADMP Cc1[nH+]cn(C[C@H]2CCC[NH2+]C2)c1C 51927088 343296191 /nfs/dbraw/zinc/29/61/91/343296191.db2.gz UDZIRHSUVQRWOF-NSHDSACASA-N 2 1 193.294 1.500 20 0 ADADMP CCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 53201336 343313132 /nfs/dbraw/zinc/31/31/32/343313132.db2.gz DBEZDAPZCZPILE-SECBINFHSA-N 2 1 156.273 1.080 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([NH2+]C)C1 53201336 343313133 /nfs/dbraw/zinc/31/31/33/343313133.db2.gz DBEZDAPZCZPILE-SECBINFHSA-N 2 1 156.273 1.080 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 54472811 343324659 /nfs/dbraw/zinc/32/46/59/343324659.db2.gz OLLNGCIEGWCOFC-DCAQKATOSA-N 2 1 184.327 1.844 20 0 ADADMP CCC[N@@H+](C)C1CCC([NH3+])CC1 55144316 343334224 /nfs/dbraw/zinc/33/42/24/343334224.db2.gz AAXZDTWEJZGVDA-UHFFFAOYSA-N 2 1 170.300 1.598 20 0 ADADMP Cn1c[nH+]cc1CC[NH2+]CC(C)(C)C 60312236 343353581 /nfs/dbraw/zinc/35/35/81/343353581.db2.gz MFOXWESGWLXMLG-UHFFFAOYSA-N 2 1 195.310 1.598 20 0 ADADMP C[N@@H+](CC1CCC1)CC(C)(C)C[NH3+] 61484346 343356607 /nfs/dbraw/zinc/35/66/07/343356607.db2.gz LLHQUBXUAJPEJQ-UHFFFAOYSA-N 2 1 184.327 1.703 20 0 ADADMP C[N@@H+](CC1CCC1)C1CC[NH2+]CC1 61458120 343356962 /nfs/dbraw/zinc/35/69/62/343356962.db2.gz ZCLSEEIXNDZNAW-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP CC1(C)CC[NH+](CC[NH3+])CC1 61818274 343364009 /nfs/dbraw/zinc/36/40/09/343364009.db2.gz NHCRTTOTVRWPPF-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 in-vitro ADADMP C[C@H]1CCC[N@H+]1C[C@]1(C)CCC[NH2+]C1 62862162 343383460 /nfs/dbraw/zinc/38/34/60/343383460.db2.gz LUAIRHUGZCHBGQ-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 62862332 343383529 /nfs/dbraw/zinc/38/35/29/343383529.db2.gz UBWSXMQDVLOPJL-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 62862331 343383669 /nfs/dbraw/zinc/38/36/69/343383669.db2.gz UBWSXMQDVLOPJL-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CC[C@H]([NH+]2CCCC2)C[NH2+]1 62948553 343387250 /nfs/dbraw/zinc/38/72/50/343387250.db2.gz OIHRREASVADLTK-UWVGGRQHSA-N 2 1 168.284 1.223 20 0 ADADMP C[C@H]1CC[C@@H]([NH+]2CCCC2)C[NH2+]1 62948555 343387297 /nfs/dbraw/zinc/38/72/97/343387297.db2.gz OIHRREASVADLTK-VHSXEESVSA-N 2 1 168.284 1.223 20 0 ADADMP C[C@@H]1CC[C@H]([NH+]2CCCC2)C[NH2+]1 62948552 343387328 /nfs/dbraw/zinc/38/73/28/343387328.db2.gz OIHRREASVADLTK-ZJUUUORDSA-N 2 1 168.284 1.223 20 0 ADADMP C[C@@H]1CC[C@@H]([NH+]2CCCC2)C[NH2+]1 62948554 343387391 /nfs/dbraw/zinc/38/73/91/343387391.db2.gz OIHRREASVADLTK-NXEZZACHSA-N 2 1 168.284 1.223 20 0 ADADMP CC(C)[N@H+]1CCC2(CC[NH2+]CC2)C1 62951118 343388100 /nfs/dbraw/zinc/38/81/00/343388100.db2.gz SRGADFWCQXEQKW-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 in-vitro ADADMP CC1CCC(C[N@@H+]2CC[C@H]([NH3+])C2)CC1 63145712 343402992 /nfs/dbraw/zinc/40/29/92/343402992.db2.gz YXQODXHMCVTGMH-MCIGGMRASA-N 2 1 196.338 1.846 20 0 ADADMP CC1CCC(C[N@H+]2CC[C@H]([NH3+])C2)CC1 63145712 343402995 /nfs/dbraw/zinc/40/29/95/343402995.db2.gz YXQODXHMCVTGMH-MCIGGMRASA-N 2 1 196.338 1.846 20 0 ADADMP CC1CCC(C[N@@H+]2CC[C@@H]([NH3+])C2)CC1 63145714 343403071 /nfs/dbraw/zinc/40/30/71/343403071.db2.gz YXQODXHMCVTGMH-HTAVTVPLSA-N 2 1 196.338 1.846 20 0 ADADMP CC1CCC(C[N@H+]2CC[C@@H]([NH3+])C2)CC1 63145714 343403073 /nfs/dbraw/zinc/40/30/73/343403073.db2.gz YXQODXHMCVTGMH-HTAVTVPLSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+](C2CCC2)C1 68954782 343416909 /nfs/dbraw/zinc/41/69/09/343416909.db2.gz BOAAVCSXHJSFGO-SECBINFHSA-N 2 1 168.284 1.210 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@H+](C2CCC2)C1 68954784 343417002 /nfs/dbraw/zinc/41/70/02/343417002.db2.gz BOAAVCSXHJSFGO-VIFPVBQESA-N 2 1 168.284 1.210 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCCC1 69804261 343443605 /nfs/dbraw/zinc/44/36/05/343443605.db2.gz WHFUDYMJKLVCQU-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCCC1 69804249 343443842 /nfs/dbraw/zinc/44/38/42/343443842.db2.gz WHFUDYMJKLVCQU-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1C[N@@H+](CCC[NH3+])C[C@@H](C)S1 69908135 343456009 /nfs/dbraw/zinc/45/60/09/343456009.db2.gz DYIJFTHEJNTVBL-DTORHVGOSA-N 2 1 188.340 1.161 20 0 ADADMP CSCC[NH2+]C1CC[NH+](C)CC1 70184124 343477433 /nfs/dbraw/zinc/47/74/33/343477433.db2.gz XJUSJNMCRSJVRR-UHFFFAOYSA-N 2 1 188.340 1.033 20 0 ADADMP CC1(C)CCC[N@@H+](CCC[NH3+])C1 70534879 343489824 /nfs/dbraw/zinc/48/98/24/343489824.db2.gz LXJXRNLURPPICA-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 70584690 343497100 /nfs/dbraw/zinc/49/71/00/343497100.db2.gz VRZSQILTDKWTEB-JTQLQIEISA-N 2 1 184.327 1.857 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 70584689 343497135 /nfs/dbraw/zinc/49/71/35/343497135.db2.gz VRZSQILTDKWTEB-SNVBAGLBSA-N 2 1 184.327 1.857 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 70584689 343497138 /nfs/dbraw/zinc/49/71/38/343497138.db2.gz VRZSQILTDKWTEB-SNVBAGLBSA-N 2 1 184.327 1.857 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 70643036 343514610 /nfs/dbraw/zinc/51/46/10/343514610.db2.gz FOLIFGZANFFJPW-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 70825894 343533801 /nfs/dbraw/zinc/53/38/01/343533801.db2.gz QVGCNGZRXQPNFS-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 70825885 343533825 /nfs/dbraw/zinc/53/38/25/343533825.db2.gz QVGCNGZRXQPNFS-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 70829058 343534483 /nfs/dbraw/zinc/53/44/83/343534483.db2.gz FGVVTVAUIJQNPT-MXWKQRLJSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 70829065 343534492 /nfs/dbraw/zinc/53/44/92/343534492.db2.gz FGVVTVAUIJQNPT-GMTAPVOTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CC2)CC[N@@H+]1C 73655547 343570877 /nfs/dbraw/zinc/57/08/77/343570877.db2.gz JAWXGRYOSMCZIO-WCBMZHEXSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CC2)CC[N@H+]1C 73655547 343570881 /nfs/dbraw/zinc/57/08/81/343570881.db2.gz JAWXGRYOSMCZIO-WCBMZHEXSA-N 2 1 168.284 1.221 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 73655467 343570980 /nfs/dbraw/zinc/57/09/80/343570980.db2.gz XKXRYMYKRACCEF-ZJUUUORDSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 73655467 343570982 /nfs/dbraw/zinc/57/09/82/343570982.db2.gz XKXRYMYKRACCEF-ZJUUUORDSA-N 2 1 170.300 1.467 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CC2)CC[N@@H+]1C 73655557 343571027 /nfs/dbraw/zinc/57/10/27/343571027.db2.gz JAWXGRYOSMCZIO-WPRPVWTQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]C2CC2)CC[N@H+]1C 73655557 343571029 /nfs/dbraw/zinc/57/10/29/343571029.db2.gz JAWXGRYOSMCZIO-WPRPVWTQSA-N 2 1 168.284 1.221 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 73655464 343571078 /nfs/dbraw/zinc/57/10/78/343571078.db2.gz XKXRYMYKRACCEF-VHSXEESVSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 73655464 343571079 /nfs/dbraw/zinc/57/10/79/343571079.db2.gz XKXRYMYKRACCEF-VHSXEESVSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 73655468 343571090 /nfs/dbraw/zinc/57/10/90/343571090.db2.gz XKXRYMYKRACCEF-UWVGGRQHSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 73655468 343571091 /nfs/dbraw/zinc/57/10/91/343571091.db2.gz XKXRYMYKRACCEF-UWVGGRQHSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)c1[nH]c2c([nH+]1)CC[C@@H]([NH3+])C2 76090663 343579336 /nfs/dbraw/zinc/57/93/36/343579336.db2.gz WYOIXCNXQWPART-SSDOTTSWSA-N 2 1 179.267 1.349 20 0 ADADMP CC(C)c1[nH]c2c([nH+]1)CC[C@H]([NH3+])C2 76090665 343579500 /nfs/dbraw/zinc/57/95/00/343579500.db2.gz WYOIXCNXQWPART-ZETCQYMHSA-N 2 1 179.267 1.349 20 0 ADADMP CCCCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 79618544 343589697 /nfs/dbraw/zinc/58/96/97/343589697.db2.gz HJXJDTGTZSGOQT-PHIMTYICSA-N 2 1 182.311 1.328 20 0 ADADMP C[N@@H+]1Cc2ccccc2[C@H]1CC[NH3+] 82398657 343601297 /nfs/dbraw/zinc/60/12/97/343601297.db2.gz MTFFYQSIODVULF-LLVKDONJSA-N 2 1 176.263 1.522 20 0 ADADMP C[N@H+]1Cc2ccccc2[C@H]1CC[NH3+] 82398657 343601299 /nfs/dbraw/zinc/60/12/99/343601299.db2.gz MTFFYQSIODVULF-LLVKDONJSA-N 2 1 176.263 1.522 20 0 ADADMP C[N@H+]1CC[C@@]2(CCC[NH2+]CC2)C1 82401776 343601330 /nfs/dbraw/zinc/60/13/30/343601330.db2.gz AUFYMLBRXQBGQQ-JTQLQIEISA-N 2 1 168.284 1.082 20 0 ADADMP C[N@@H+]1Cc2ccccc2[C@@H]1CC[NH3+] 82398656 343601363 /nfs/dbraw/zinc/60/13/63/343601363.db2.gz MTFFYQSIODVULF-NSHDSACASA-N 2 1 176.263 1.522 20 0 ADADMP C[N@H+]1Cc2ccccc2[C@@H]1CC[NH3+] 82398656 343601365 /nfs/dbraw/zinc/60/13/65/343601365.db2.gz MTFFYQSIODVULF-NSHDSACASA-N 2 1 176.263 1.522 20 0 ADADMP C[N@H+]1CC[C@]2(CCC[NH2+]CC2)C1 82401775 343601384 /nfs/dbraw/zinc/60/13/84/343601384.db2.gz AUFYMLBRXQBGQQ-SNVBAGLBSA-N 2 1 168.284 1.082 20 0 ADADMP CCC[N@H+]1CCC2(CC[NH2+]CC2)C1 82529763 343605880 /nfs/dbraw/zinc/60/58/80/343605880.db2.gz WIBPIOZENRXHTR-UHFFFAOYSA-N 2 1 182.311 1.472 20 0 ADADMP CCCC[N@H+]1CCC2(CC[NH2+]CC2)C1 82531065 343605756 /nfs/dbraw/zinc/60/57/56/343605756.db2.gz CYESJYGCIVLXRO-UHFFFAOYSA-N 2 1 196.338 1.862 20 0 ADADMP CC[C@H](C)[N@H+]1CCC2(CC[NH2+]CC2)C1 82531068 343605957 /nfs/dbraw/zinc/60/59/57/343605957.db2.gz ZCZRBYXRPYLJOV-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C[NH3+] 82650139 343608938 /nfs/dbraw/zinc/60/89/38/343608938.db2.gz SKKAWEIXPYZVPM-NXEZZACHSA-N 2 1 184.327 1.559 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] 82650142 343609018 /nfs/dbraw/zinc/60/90/18/343609018.db2.gz SKKAWEIXPYZVPM-UWVGGRQHSA-N 2 1 184.327 1.559 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+](C)CC(C)(C)C[NH3+] 82650141 343609062 /nfs/dbraw/zinc/60/90/62/343609062.db2.gz SKKAWEIXPYZVPM-ZJUUUORDSA-N 2 1 184.327 1.559 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+](C)CC(C)(C)C[NH3+] 82650140 343609122 /nfs/dbraw/zinc/60/91/22/343609122.db2.gz SKKAWEIXPYZVPM-VHSXEESVSA-N 2 1 184.327 1.559 20 0 ADADMP CC(C)[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2C 83846959 343625638 /nfs/dbraw/zinc/62/56/38/343625638.db2.gz YNXPUFRXGRJMDG-YOGCLGLASA-N 2 1 196.338 2.000 20 0 ADADMP CC(C)[NH2+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2C 83846959 343625641 /nfs/dbraw/zinc/62/56/41/343625641.db2.gz YNXPUFRXGRJMDG-YOGCLGLASA-N 2 1 196.338 2.000 20 0 ADADMP C[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH3+])C1 84045092 343629919 /nfs/dbraw/zinc/62/99/19/343629919.db2.gz CRGBWCVNBGYLBQ-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CC[C@H](C)[N@@H+](CCC[NH3+])C1 84045089 343630047 /nfs/dbraw/zinc/63/00/47/343630047.db2.gz CRGBWCVNBGYLBQ-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[NH+]1CCC([NH2+][C@H]2CC=CCC2)CC1 84066154 343630755 /nfs/dbraw/zinc/63/07/55/343630755.db2.gz QXYUJJDJEFDKAE-NSHDSACASA-N 2 1 194.322 1.779 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 84385063 343635775 /nfs/dbraw/zinc/63/57/75/343635775.db2.gz RJVDAAQNEBJGEB-MNOVXSKESA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384432 343635757 /nfs/dbraw/zinc/63/57/57/343635757.db2.gz IZUDMTCOFZOVFK-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384905 343635797 /nfs/dbraw/zinc/63/57/97/343635797.db2.gz FPDYLJXXAIPOKY-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 84384457 343635863 /nfs/dbraw/zinc/63/58/63/343635863.db2.gz DYIGXFKJBRPINY-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384902 343635961 /nfs/dbraw/zinc/63/59/61/343635961.db2.gz FPDYLJXXAIPOKY-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 84385068 343636010 /nfs/dbraw/zinc/63/60/10/343636010.db2.gz RJVDAAQNEBJGEB-QWRGUYRKSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 84384431 343636016 /nfs/dbraw/zinc/63/60/16/343636016.db2.gz IZUDMTCOFZOVFK-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 84384453 343636042 /nfs/dbraw/zinc/63/60/42/343636042.db2.gz DYIGXFKJBRPINY-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC1(C)CC[C@H]([NH2+]CC[NH3+])C1 87771107 343663839 /nfs/dbraw/zinc/66/38/39/343663839.db2.gz OMVKLRPJJLQTLK-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP CC(C)C[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 85282125 343642120 /nfs/dbraw/zinc/64/21/20/343642120.db2.gz PNOASXMBUSUWAR-UTUOFQBUSA-N 2 1 196.338 1.572 20 0 ADADMP C[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 85579012 343645078 /nfs/dbraw/zinc/64/50/78/343645078.db2.gz HTRUAIPDOIFVAT-UHFFFAOYSA-N 2 1 193.294 1.199 20 0 ADADMP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@@H]1C 86010116 343648702 /nfs/dbraw/zinc/64/87/02/343648702.db2.gz DJGZRUBRIVJPOG-PHIMTYICSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1C 86015043 343649150 /nfs/dbraw/zinc/64/91/50/343649150.db2.gz KHNXZYPNPJOMFV-DTORHVGOSA-N 2 1 170.300 1.312 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCC1 86701700 343653761 /nfs/dbraw/zinc/65/37/61/343653761.db2.gz NVPLETJJCLZNAS-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP CC1(C)CCCC[C@@H]1[NH2+]CC[NH3+] 86843835 343655734 /nfs/dbraw/zinc/65/57/34/343655734.db2.gz KLQPQSBPYLNRGO-VIFPVBQESA-N 2 1 170.300 1.504 20 0 ADADMP CC1(C)CCCC[C@H]1[NH2+]CC[NH3+] 86843837 343655848 /nfs/dbraw/zinc/65/58/48/343655848.db2.gz KLQPQSBPYLNRGO-SECBINFHSA-N 2 1 170.300 1.504 20 0 ADADMP CC1(C)CCC[C@@H]1[NH2+]CC[NH3+] 86856785 343656132 /nfs/dbraw/zinc/65/61/32/343656132.db2.gz HVKZNTFVKOLYSB-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP CC1(C)CCC[C@H]1[NH2+]CC[NH3+] 86856786 343656486 /nfs/dbraw/zinc/65/64/86/343656486.db2.gz HVKZNTFVKOLYSB-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 86873527 343656646 /nfs/dbraw/zinc/65/66/46/343656646.db2.gz QCSRGGULGOPCRX-MNOVXSKESA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 86873534 343656760 /nfs/dbraw/zinc/65/67/60/343656760.db2.gz QCSRGGULGOPCRX-WDEREUQCSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 86873530 343656783 /nfs/dbraw/zinc/65/67/83/343656783.db2.gz QCSRGGULGOPCRX-GHMZBOCLSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 86873532 343656886 /nfs/dbraw/zinc/65/68/86/343656886.db2.gz QCSRGGULGOPCRX-QWRGUYRKSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 87255216 343658706 /nfs/dbraw/zinc/65/87/06/343658706.db2.gz YCYJFUREJODFKD-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC(C)(C)C1 87255048 343658760 /nfs/dbraw/zinc/65/87/60/343658760.db2.gz XRZMQTWPVXZXDX-UHFFFAOYSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87252119 343658794 /nfs/dbraw/zinc/65/87/94/343658794.db2.gz BRNGTZRFTNUAMM-MRVPVSSYSA-N 2 1 156.273 1.066 20 0 ADADMP CC1(C)CC[N@@H+](CCC[NH3+])C1 87232769 343658808 /nfs/dbraw/zinc/65/88/08/343658808.db2.gz AAEJWSYBJGOBOR-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC(C)(C)C1 87252117 343658939 /nfs/dbraw/zinc/65/89/39/343658939.db2.gz BRNGTZRFTNUAMM-QMMMGPOBSA-N 2 1 156.273 1.066 20 0 ADADMP CC1(C)CC[N@@H+](CC2CC[NH2+]CC2)C1 87254618 343659009 /nfs/dbraw/zinc/65/90/09/343659009.db2.gz RTOQUDHLVRPYBJ-UHFFFAOYSA-N 2 1 196.338 1.718 20 0 ADADMP CC1(C)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 87254576 343659038 /nfs/dbraw/zinc/65/90/38/343659038.db2.gz KTCABLBQSZKITK-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CC1(C)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 87254578 343659052 /nfs/dbraw/zinc/65/90/52/343659052.db2.gz KTCABLBQSZKITK-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[N@H+](Cc1cccs1)C1CC([NH3+])C1 87653213 343662612 /nfs/dbraw/zinc/66/26/12/343662612.db2.gz MLEUXFQAEOPYKC-UHFFFAOYSA-N 2 1 196.319 1.670 20 0 ADADMP C[N@@H+](Cc1cccs1)C1CC([NH3+])C1 87653213 343662614 /nfs/dbraw/zinc/66/26/14/343662614.db2.gz MLEUXFQAEOPYKC-UHFFFAOYSA-N 2 1 196.319 1.670 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+](C)C1CC([NH3+])C1 87653570 343662634 /nfs/dbraw/zinc/66/26/34/343662634.db2.gz XPUCJBVBCZMXDF-DKEVHCRPSA-N 2 1 168.284 1.064 20 0 ADADMP C[N@H+](Cc1ccncc1)C1CC([NH3+])C1 87653223 343662646 /nfs/dbraw/zinc/66/26/46/343662646.db2.gz ITLKMXZQQPVECO-UHFFFAOYSA-N 2 1 191.278 1.003 20 0 ADADMP C[N@@H+](Cc1ccncc1)C1CC([NH3+])C1 87653223 343662647 /nfs/dbraw/zinc/66/26/47/343662647.db2.gz ITLKMXZQQPVECO-UHFFFAOYSA-N 2 1 191.278 1.003 20 0 ADADMP C[N@@H+](CC1CCCC1)C1CC([NH3+])C1 87653557 343662763 /nfs/dbraw/zinc/66/27/63/343662763.db2.gz WUDZXDRKAPWXGA-UHFFFAOYSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1CC([NH3+])C1 87653567 343662796 /nfs/dbraw/zinc/66/27/96/343662796.db2.gz XPUCJBVBCZMXDF-LGUIWLBCSA-N 2 1 168.284 1.064 20 0 ADADMP C[N@H+](Cc1ccsc1)C1CC([NH3+])C1 87653214 343662925 /nfs/dbraw/zinc/66/29/25/343662925.db2.gz MXXFDWXBOKBYMC-UHFFFAOYSA-N 2 1 196.319 1.670 20 0 ADADMP C[N@@H+](Cc1ccsc1)C1CC([NH3+])C1 87653214 343662927 /nfs/dbraw/zinc/66/29/27/343662927.db2.gz MXXFDWXBOKBYMC-UHFFFAOYSA-N 2 1 196.319 1.670 20 0 ADADMP C[N@@H+](CC1CCC1)C1CC([NH3+])C1 87653488 343662940 /nfs/dbraw/zinc/66/29/40/343662940.db2.gz UFWQHXVAMHEIQP-UHFFFAOYSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1CC([NH3+])C1 87653568 343662954 /nfs/dbraw/zinc/66/29/54/343662954.db2.gz XPUCJBVBCZMXDF-AFWXGSBKSA-N 2 1 168.284 1.064 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1CC([NH3+])C1 87653569 343662971 /nfs/dbraw/zinc/66/29/71/343662971.db2.gz XPUCJBVBCZMXDF-XHHQTKHESA-N 2 1 168.284 1.064 20 0 ADADMP CC1(C)CC[C@@H]([NH2+]CC[NH3+])C1 87771109 343663861 /nfs/dbraw/zinc/66/38/61/343663861.db2.gz OMVKLRPJJLQTLK-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]1C[N@@H+](CCCF)CC[C@@H]1[NH3+] 88026451 343666485 /nfs/dbraw/zinc/66/64/85/343666485.db2.gz MAXXCQSDTSBCFA-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]1C[N@@H+](CCCF)CC[C@@H]1[NH3+] 88026452 343666716 /nfs/dbraw/zinc/66/67/16/343666716.db2.gz MAXXCQSDTSBCFA-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH3+] 88131615 343667833 /nfs/dbraw/zinc/66/78/33/343667833.db2.gz YFDOMRDMLAPDDN-ZJUUUORDSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH3+] 88131617 343667854 /nfs/dbraw/zinc/66/78/54/343667854.db2.gz YFDOMRDMLAPDDN-NXEZZACHSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH3+] 88131616 343668015 /nfs/dbraw/zinc/66/80/15/343668015.db2.gz YFDOMRDMLAPDDN-UWVGGRQHSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH3+] 88131618 343668107 /nfs/dbraw/zinc/66/81/07/343668107.db2.gz YFDOMRDMLAPDDN-VHSXEESVSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)=CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 88287866 343669977 /nfs/dbraw/zinc/66/99/77/343669977.db2.gz TTYWJQHYQOTXDJ-PHIMTYICSA-N 2 1 180.295 1.104 20 0 ADADMP C1CCC(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 88288070 343670114 /nfs/dbraw/zinc/67/01/14/343670114.db2.gz JXZPFMKCXRGANB-TXEJJXNPSA-N 2 1 194.322 1.328 20 0 ADADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCCC1 90504962 343676314 /nfs/dbraw/zinc/67/63/14/343676314.db2.gz WIHVXUIGWLONNV-GFCCVEGCSA-N 2 1 196.338 1.957 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC2CC2)CC[N@H+]1C 90721144 343676905 /nfs/dbraw/zinc/67/69/05/343676905.db2.gz ZROIFOZZDNNRTO-ONGXEEELSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CC2CC2)CC[N@H+]1C 90721136 343677054 /nfs/dbraw/zinc/67/70/54/343677054.db2.gz ZROIFOZZDNNRTO-MWLCHTKSSA-N 2 1 182.311 1.469 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CC2CCCCCC2)C1 91363172 343677513 /nfs/dbraw/zinc/67/75/13/343677513.db2.gz NBYAUZUYZUOBMA-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CC2CCCCCC2)C1 91363172 343677515 /nfs/dbraw/zinc/67/75/15/343677515.db2.gz NBYAUZUYZUOBMA-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 95937470 343691574 /nfs/dbraw/zinc/69/15/74/343691574.db2.gz ATGZUGOXTDMMAD-SNVBAGLBSA-N 2 1 168.284 1.080 20 0 ADADMP CC(C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 95937469 343691728 /nfs/dbraw/zinc/69/17/28/343691728.db2.gz ATGZUGOXTDMMAD-JTQLQIEISA-N 2 1 168.284 1.080 20 0 ADADMP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 97458350 343701715 /nfs/dbraw/zinc/70/17/15/343701715.db2.gz JOCNIQXTDSOKOS-ZJUUUORDSA-N 2 1 168.284 1.221 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 97458350 343701717 /nfs/dbraw/zinc/70/17/17/343701717.db2.gz JOCNIQXTDSOKOS-ZJUUUORDSA-N 2 1 168.284 1.221 20 0 ADADMP C1C[C@H]2CC[C@@H](C[NH2+]1)[N@H+]2CC1CC1 101276899 343723654 /nfs/dbraw/zinc/72/36/54/343723654.db2.gz QQGMHNNAORVETN-MNOVXSKESA-N 2 1 180.295 1.223 20 0 ADADMP CC(C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C 101601064 343724173 /nfs/dbraw/zinc/72/41/73/343724173.db2.gz LDYUEKKZBOXMCU-GARJFASQSA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 107220492 343747276 /nfs/dbraw/zinc/74/72/76/343747276.db2.gz KYDKABHPNOSOMX-DTWKUNHWSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 107220487 343747554 /nfs/dbraw/zinc/74/75/54/343747554.db2.gz KYDKABHPNOSOMX-RKDXNWHRSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C 107220494 343747979 /nfs/dbraw/zinc/74/79/79/343747979.db2.gz KYDKABHPNOSOMX-BDAKNGLRSA-N 2 1 156.273 1.064 20 0 ADADMP CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 107936509 343750451 /nfs/dbraw/zinc/75/04/51/343750451.db2.gz OWLMGWMDIFEVRF-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 107936507 343750498 /nfs/dbraw/zinc/75/04/98/343750498.db2.gz OWLMGWMDIFEVRF-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 108289096 343751564 /nfs/dbraw/zinc/75/15/64/343751564.db2.gz SAKXPAXDGCDMDK-VIFPVBQESA-N 2 1 170.300 1.456 20 0 ADADMP Cc1[nH+]ccn1CC[C@H]1CC[NH2+]C1 108292546 343751587 /nfs/dbraw/zinc/75/15/87/343751587.db2.gz RSHXNVNKPVCWOW-SNVBAGLBSA-N 2 1 179.267 1.191 20 0 ADADMP CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](C)N 108297370 343751614 /nfs/dbraw/zinc/75/16/14/343751614.db2.gz JEFGTZDIFNASBC-GHMZBOCLSA-N 2 1 184.327 1.844 20 0 ADADMP CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](C)N 108297368 343751665 /nfs/dbraw/zinc/75/16/65/343751665.db2.gz JEFGTZDIFNASBC-MNOVXSKESA-N 2 1 184.327 1.844 20 0 ADADMP CC(C)[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 108289124 343751705 /nfs/dbraw/zinc/75/17/05/343751705.db2.gz PXARKVGDRKDAQU-NXEZZACHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)[C@H]1CC[N@H+](C[C@@H](C)[NH3+])C1 108289126 343751834 /nfs/dbraw/zinc/75/18/34/343751834.db2.gz PXARKVGDRKDAQU-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@@H]1CCCCC[N@H+]1C[C@@H](C)N 108297386 343751864 /nfs/dbraw/zinc/75/18/64/343751864.db2.gz AHRKOWUCLPNNEQ-GHMZBOCLSA-N 2 1 184.327 1.988 20 0 ADADMP Cc1[nH+]ccn1CC[C@@H]1CC[NH2+]C1 108292544 343751926 /nfs/dbraw/zinc/75/19/26/343751926.db2.gz RSHXNVNKPVCWOW-JTQLQIEISA-N 2 1 179.267 1.191 20 0 ADADMP CC[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 108307282 343752137 /nfs/dbraw/zinc/75/21/37/343752137.db2.gz HBQVBIPKJCMHEJ-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 108307304 343752356 /nfs/dbraw/zinc/75/23/56/343752356.db2.gz OXBLMRDMPAGVLG-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[NH+](C)C1(C[NH2+]CC2CC2)CCCC1 112339340 343754749 /nfs/dbraw/zinc/75/47/49/343754749.db2.gz KRMXYKNGQFSBOB-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 112943259 343755967 /nfs/dbraw/zinc/75/59/67/343755967.db2.gz SJLGLJJWNMDHAO-LLVKDONJSA-N 2 1 193.294 1.615 20 0 ADADMP C[C@H]1CCC[N@@H+](CCn2ccnc2)C1 112943383 343756205 /nfs/dbraw/zinc/75/62/05/343756205.db2.gz SJLGLJJWNMDHAO-NSHDSACASA-N 2 1 193.294 1.615 20 0 ADADMP C[C@@H]1CC[N@@H+](CCn2ccnc2)C1 112942975 343756212 /nfs/dbraw/zinc/75/62/12/343756212.db2.gz YESVOCGKESIJME-SNVBAGLBSA-N 2 1 179.267 1.225 20 0 ADADMP [NH3+]CCC[N@H+]1CCC2(CCCCC2)C1 114235253 343762109 /nfs/dbraw/zinc/76/21/09/343762109.db2.gz PTTDHUYPMWVOBD-UHFFFAOYSA-N 2 1 196.338 1.991 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCCC1 122298177 343778829 /nfs/dbraw/zinc/77/88/29/343778829.db2.gz ULRTYTGABLVMIV-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCCC1 122297730 343778861 /nfs/dbraw/zinc/77/88/61/343778861.db2.gz ULRTYTGABLVMIV-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC1 122368123 343779169 /nfs/dbraw/zinc/77/91/69/343779169.db2.gz YWYDZYCTUZFBBX-ONGXEEELSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC1 122367687 343779364 /nfs/dbraw/zinc/77/93/64/343779364.db2.gz YWYDZYCTUZFBBX-GXSJLCMTSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C 122718070 343780943 /nfs/dbraw/zinc/78/09/43/343780943.db2.gz DTBFLKVIEBVIIE-QWRGUYRKSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC1 122717168 343781136 /nfs/dbraw/zinc/78/11/36/343781136.db2.gz KPTWSKJKDPLKBN-ONGXEEELSA-N 2 1 182.311 1.326 20 0 ADADMP CC1CC([NH2+][C@H]2CCC[NH2+]C2)C1 123367283 343783040 /nfs/dbraw/zinc/78/30/40/343783040.db2.gz JOMRYVPGJLCICR-KYHHOPLUSA-N 2 1 168.284 1.127 20 0 ADADMP CC1CC([NH2+][C@@H]2CCC[NH2+]C2)C1 123367070 343783222 /nfs/dbraw/zinc/78/32/22/343783222.db2.gz JOMRYVPGJLCICR-HWOCKDDLSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@H]1SCC[N@@H+](CCC[NH3+])[C@@H]1C 123772146 343784120 /nfs/dbraw/zinc/78/41/20/343784120.db2.gz SQOANSDQPDVDRA-RKDXNWHRSA-N 2 1 188.340 1.161 20 0 ADADMP CSCC[C@H](C)[N@@H+](C)CCC[NH3+] 123814026 343784212 /nfs/dbraw/zinc/78/42/12/343784212.db2.gz NHASDRQRYQOMOI-VIFPVBQESA-N 2 1 190.356 1.409 20 0 ADADMP CSCC[C@@H](C)[N@@H+](C)CCC[NH3+] 123814258 343784424 /nfs/dbraw/zinc/78/44/24/343784424.db2.gz NHASDRQRYQOMOI-SECBINFHSA-N 2 1 190.356 1.409 20 0 ADADMP C[C@H]1[C@@H](C)SCC[N@H+]1CCC[NH3+] 123772367 343784432 /nfs/dbraw/zinc/78/44/32/343784432.db2.gz SQOANSDQPDVDRA-DTWKUNHWSA-N 2 1 188.340 1.161 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 123966416 343785269 /nfs/dbraw/zinc/78/52/69/343785269.db2.gz SNUUJWHTPDKVFJ-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 123966855 343785323 /nfs/dbraw/zinc/78/53/23/343785323.db2.gz SNUUJWHTPDKVFJ-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP C[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CCC1 127561115 343813986 /nfs/dbraw/zinc/81/39/86/343813986.db2.gz HQQFYKGDFYLPGL-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 130766148 343874663 /nfs/dbraw/zinc/87/46/63/343874663.db2.gz MNFIPDFEZQSIKU-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128507748 343832475 /nfs/dbraw/zinc/83/24/75/343832475.db2.gz MMEUMPASJWVVPJ-OUAUKWLOSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128508231 343832707 /nfs/dbraw/zinc/83/27/07/343832707.db2.gz MMEUMPASJWVVPJ-GMTAPVOTSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 128596824 343834535 /nfs/dbraw/zinc/83/45/35/343834535.db2.gz RICCXPBHSOLUTM-MNOVXSKESA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128596126 343834531 /nfs/dbraw/zinc/83/45/31/343834531.db2.gz RICCXPBHSOLUTM-WDEREUQCSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 128596577 343834777 /nfs/dbraw/zinc/83/47/77/343834777.db2.gz RICCXPBHSOLUTM-QWRGUYRKSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 128596334 343834782 /nfs/dbraw/zinc/83/47/82/343834782.db2.gz RICCXPBHSOLUTM-GHMZBOCLSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)C1 128671006 343835621 /nfs/dbraw/zinc/83/56/21/343835621.db2.gz HDVNRPDPEJILKK-HRDYMLBCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)C1 128670580 343835712 /nfs/dbraw/zinc/83/57/12/343835712.db2.gz HDVNRPDPEJILKK-VGMNWLOBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC(C)(C)C1 128749340 343836723 /nfs/dbraw/zinc/83/67/23/343836723.db2.gz NMYKXJPCAXVMGZ-BDAKNGLRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 128748918 343836809 /nfs/dbraw/zinc/83/68/09/343836809.db2.gz NMYKXJPCAXVMGZ-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC(C)(C)C1 128749127 343836931 /nfs/dbraw/zinc/83/69/31/343836931.db2.gz NMYKXJPCAXVMGZ-IUCAKERBSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCC(C)(C)C1 128748669 343836996 /nfs/dbraw/zinc/83/69/96/343836996.db2.gz NMYKXJPCAXVMGZ-DTWKUNHWSA-N 2 1 170.300 1.502 20 0 ADADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCN)CC2 129362240 343848545 /nfs/dbraw/zinc/84/85/45/343848545.db2.gz YCXKXCKILADGRR-LBPRGKRZSA-N 2 1 190.290 1.531 20 0 ADADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CC2 129362240 343848547 /nfs/dbraw/zinc/84/85/47/343848547.db2.gz YCXKXCKILADGRR-LBPRGKRZSA-N 2 1 190.290 1.531 20 0 ADADMP Cc1ccc2c(c1)[C@H]([NH2+]CCN)CC2 129362021 343848705 /nfs/dbraw/zinc/84/87/05/343848705.db2.gz YCXKXCKILADGRR-GFCCVEGCSA-N 2 1 190.290 1.531 20 0 ADADMP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CC2 129362021 343848708 /nfs/dbraw/zinc/84/87/08/343848708.db2.gz YCXKXCKILADGRR-GFCCVEGCSA-N 2 1 190.290 1.531 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@@H]1C 129400240 343849172 /nfs/dbraw/zinc/84/91/72/343849172.db2.gz VHJYFVIAWPFZFU-UWVGGRQHSA-N 2 1 170.300 1.313 20 0 ADADMP CC1CC([NH2+]C2CC[NH+](C)CC2)C1 129484230 343851502 /nfs/dbraw/zinc/85/15/02/343851502.db2.gz OVMHHUQIZPHWFH-UHFFFAOYSA-N 2 1 182.311 1.469 20 0 ADADMP CCSCC[N@@H+](C)CCC[NH2+]C 130045298 343861308 /nfs/dbraw/zinc/86/13/08/343861308.db2.gz JRNVFYLJHKVGTA-UHFFFAOYSA-N 2 1 190.356 1.281 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)C1 130382700 343867400 /nfs/dbraw/zinc/86/74/00/343867400.db2.gz KQTZFVQHHUHFST-POSLAHMBSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 130382700 343867402 /nfs/dbraw/zinc/86/74/02/343867402.db2.gz KQTZFVQHHUHFST-POSLAHMBSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)C1 130382891 343867455 /nfs/dbraw/zinc/86/74/55/343867455.db2.gz KQTZFVQHHUHFST-ADPBJBESSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)C1 130382891 343867456 /nfs/dbraw/zinc/86/74/56/343867456.db2.gz KQTZFVQHHUHFST-ADPBJBESSA-N 2 1 196.338 1.715 20 0 ADADMP C[NH+]1CCC([NH2+][C@H]2C=CCCC2)CC1 130691813 343873273 /nfs/dbraw/zinc/87/32/73/343873273.db2.gz KZHPDIYKNYASBT-NSHDSACASA-N 2 1 194.322 1.779 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 130766148 343874661 /nfs/dbraw/zinc/87/46/61/343874661.db2.gz MNFIPDFEZQSIKU-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCCC1 131933624 343891285 /nfs/dbraw/zinc/89/12/85/343891285.db2.gz CSSSCJQRFAMGPR-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCCC1 131933624 343891286 /nfs/dbraw/zinc/89/12/86/343891286.db2.gz CSSSCJQRFAMGPR-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCCC1 131933852 343891384 /nfs/dbraw/zinc/89/13/84/343891384.db2.gz CSSSCJQRFAMGPR-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCCC1 131933852 343891386 /nfs/dbraw/zinc/89/13/86/343891386.db2.gz CSSSCJQRFAMGPR-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 132239455 343896198 /nfs/dbraw/zinc/89/61/98/343896198.db2.gz MEZUXBIJAZXPCM-SNVBAGLBSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)C1CCC1 132239236 343896315 /nfs/dbraw/zinc/89/63/15/343896315.db2.gz MEZUXBIJAZXPCM-JTQLQIEISA-N 2 1 196.338 1.859 20 0 ADADMP C1CC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 133260760 343914198 /nfs/dbraw/zinc/91/41/98/343914198.db2.gz LDXQRYIGASORHG-NEPJUHHUSA-N 2 1 194.322 1.613 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 133260760 343914200 /nfs/dbraw/zinc/91/42/00/343914200.db2.gz LDXQRYIGASORHG-NEPJUHHUSA-N 2 1 194.322 1.613 20 0 ADADMP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133256726 343914393 /nfs/dbraw/zinc/91/43/93/343914393.db2.gz RBKPLACCTYQYRS-MNOVXSKESA-N 2 1 182.311 1.613 20 0 ADADMP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133256726 343914395 /nfs/dbraw/zinc/91/43/95/343914395.db2.gz RBKPLACCTYQYRS-MNOVXSKESA-N 2 1 182.311 1.613 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 134827455 343949540 /nfs/dbraw/zinc/94/95/40/343949540.db2.gz WVZIVJACKCZDFK-QWRGUYRKSA-N 2 1 196.338 1.988 20 0 ADADMP [NH3+]CCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 134811580 343949614 /nfs/dbraw/zinc/94/96/14/343949614.db2.gz OOVZKAVXVQYVOU-QWRGUYRKSA-N 2 1 182.311 1.600 20 0 ADADMP CC1(C)C[N@@H+](CCC[NH3+])CCS1 135210370 343957492 /nfs/dbraw/zinc/95/74/92/343957492.db2.gz DQHZOVSPXBMRGT-UHFFFAOYSA-N 2 1 188.340 1.163 20 0 ADADMP Nc1[nH+]ccc2ccc(C[NH3+])cc12 141118451 344003458 /nfs/dbraw/zinc/00/34/58/344003458.db2.gz AFXVXXUGDMGQAM-UHFFFAOYSA-N 2 1 173.219 1.276 20 0 ADADMP CCC[N@H+]1CCC[C@@H]1CN1CCCC1 143991071 344023445 /nfs/dbraw/zinc/02/34/45/344023445.db2.gz SBTHRZRERPWBNT-GFCCVEGCSA-N 2 1 196.338 1.957 20 0 ADADMP CCCN1CCC[C@@H]1C[NH+]1CCCC1 143991071 344023449 /nfs/dbraw/zinc/02/34/49/344023449.db2.gz SBTHRZRERPWBNT-GFCCVEGCSA-N 2 1 196.338 1.957 20 0 ADADMP CC[NH+]1CCC([N@@H+](C)CC)CC1 144430268 344026997 /nfs/dbraw/zinc/02/69/97/344026997.db2.gz KNDKZTYWXUGMIX-UHFFFAOYSA-N 2 1 170.300 1.422 20 0 ADADMP CC[NH+]1CCC([N@H+](C)CC)CC1 144430268 344027001 /nfs/dbraw/zinc/02/70/01/344027001.db2.gz KNDKZTYWXUGMIX-UHFFFAOYSA-N 2 1 170.300 1.422 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 147344182 344043705 /nfs/dbraw/zinc/04/37/05/344043705.db2.gz VOIDXZSRGAPIDV-RKDXNWHRSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 147344386 344043898 /nfs/dbraw/zinc/04/38/98/344043898.db2.gz VOIDXZSRGAPIDV-DTWKUNHWSA-N 2 1 156.273 1.064 20 0 ADADMP CC[N@H+](C)C1CC[NH+](C(C)C)CC1 148789136 344058874 /nfs/dbraw/zinc/05/88/74/344058874.db2.gz WBJSMNPNQSNCCW-UHFFFAOYSA-N 2 1 184.327 1.811 20 0 ADADMP CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 148789136 344058876 /nfs/dbraw/zinc/05/88/76/344058876.db2.gz WBJSMNPNQSNCCW-UHFFFAOYSA-N 2 1 184.327 1.811 20 0 ADADMP CC(C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 149608308 344068677 /nfs/dbraw/zinc/06/86/77/344068677.db2.gz JAQOFZMKPFTVRM-JTQLQIEISA-N 2 1 170.300 1.278 20 0 ADADMP CC(C)[N@H+]1CC[C@H](C[NH+](C)C)C1 149608496 344068710 /nfs/dbraw/zinc/06/87/10/344068710.db2.gz JAQOFZMKPFTVRM-SNVBAGLBSA-N 2 1 170.300 1.278 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 155778296 344080154 /nfs/dbraw/zinc/08/01/54/344080154.db2.gz UQJQBBPHFGNKOZ-WDEREUQCSA-N 2 1 182.311 1.611 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155773942 344080171 /nfs/dbraw/zinc/08/01/71/344080171.db2.gz OBCSIPRHLHQVBH-GHMZBOCLSA-N 2 1 182.311 1.613 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 155778198 344080483 /nfs/dbraw/zinc/08/04/83/344080483.db2.gz UQJQBBPHFGNKOZ-GHMZBOCLSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CC2CCC2)CC[N@H+]1C 156115520 344081040 /nfs/dbraw/zinc/08/10/40/344081040.db2.gz OVOOEBONXDPXPX-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC2CCC2)CC[N@H+]1C 156115633 344081125 /nfs/dbraw/zinc/08/11/25/344081125.db2.gz OVOOEBONXDPXPX-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@H+]1C 156115860 344081185 /nfs/dbraw/zinc/08/11/85/344081185.db2.gz OVOOEBONXDPXPX-JQWIXIFHSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CC2CCC2)CC[N@H+]1C 156115744 344081277 /nfs/dbraw/zinc/08/12/77/344081277.db2.gz OVOOEBONXDPXPX-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] 156536812 344089860 /nfs/dbraw/zinc/08/98/60/344089860.db2.gz CPMOSGHENLHPAW-DTWKUNHWSA-N 2 1 156.273 1.208 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] 156536938 344090357 /nfs/dbraw/zinc/09/03/57/344090357.db2.gz CPMOSGHENLHPAW-IUCAKERBSA-N 2 1 156.273 1.208 20 0 ADADMP CSCC[C@H](C)[N@H+](C)C[C@@H](C)[NH3+] 156888484 344097122 /nfs/dbraw/zinc/09/71/22/344097122.db2.gz VAGOBHHGQSUERW-BDAKNGLRSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 156888484 344097124 /nfs/dbraw/zinc/09/71/24/344097124.db2.gz VAGOBHHGQSUERW-BDAKNGLRSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@@H](C)[N@H+](C)C[C@@H](C)[NH3+] 156888641 344097293 /nfs/dbraw/zinc/09/72/93/344097293.db2.gz VAGOBHHGQSUERW-RKDXNWHRSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H](C)[NH3+] 156888641 344097296 /nfs/dbraw/zinc/09/72/96/344097296.db2.gz VAGOBHHGQSUERW-RKDXNWHRSA-N 2 1 190.356 1.407 20 0 ADADMP CC(C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 156913522 344097649 /nfs/dbraw/zinc/09/76/49/344097649.db2.gz VOIDXZSRGAPIDV-BDAKNGLRSA-N 2 1 156.273 1.064 20 0 ADADMP C[NH+]1CCC([NH2+]C2CC=CC2)CC1 157336655 344103826 /nfs/dbraw/zinc/10/38/26/344103826.db2.gz IRRTXJBLDKSTPE-UHFFFAOYSA-N 2 1 180.295 1.389 20 0 ADADMP CC[C@H]1C[N@@H+](CC(C)C)CC[C@@H]1[NH3+] 157891722 344115952 /nfs/dbraw/zinc/11/59/52/344115952.db2.gz GAVJZMMBTPDMJW-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1[NH3+] 157897083 344116117 /nfs/dbraw/zinc/11/61/17/344116117.db2.gz GTWCRTSXUAATIE-QWRGUYRKSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1C[N@@H+](CC(C)C)CC[C@@H]1[NH3+] 157891590 344116180 /nfs/dbraw/zinc/11/61/80/344116180.db2.gz GAVJZMMBTPDMJW-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1[NH3+] 157896960 344116369 /nfs/dbraw/zinc/11/63/69/344116369.db2.gz GTWCRTSXUAATIE-MNOVXSKESA-N 2 1 182.311 1.456 20 0 ADADMP FCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 157969603 344116580 /nfs/dbraw/zinc/11/65/80/344116580.db2.gz FRCZUAFJHFXKQS-NXEZZACHSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 157969603 344116584 /nfs/dbraw/zinc/11/65/84/344116584.db2.gz FRCZUAFJHFXKQS-NXEZZACHSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 157969899 344116663 /nfs/dbraw/zinc/11/66/63/344116663.db2.gz FRCZUAFJHFXKQS-VHSXEESVSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 157969899 344116665 /nfs/dbraw/zinc/11/66/65/344116665.db2.gz FRCZUAFJHFXKQS-VHSXEESVSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 157969751 344116746 /nfs/dbraw/zinc/11/67/46/344116746.db2.gz FRCZUAFJHFXKQS-ZJUUUORDSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 157969751 344116748 /nfs/dbraw/zinc/11/67/48/344116748.db2.gz FRCZUAFJHFXKQS-ZJUUUORDSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 157970045 344116827 /nfs/dbraw/zinc/11/68/27/344116827.db2.gz FRCZUAFJHFXKQS-UWVGGRQHSA-N 2 1 186.274 1.172 20 0 ADADMP FCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 157970045 344116830 /nfs/dbraw/zinc/11/68/30/344116830.db2.gz FRCZUAFJHFXKQS-UWVGGRQHSA-N 2 1 186.274 1.172 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 158488597 344127482 /nfs/dbraw/zinc/12/74/82/344127482.db2.gz HYBADHXNTPHGDR-DCAQKATOSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2CCCC[C@@H]21 158488747 344127621 /nfs/dbraw/zinc/12/76/21/344127621.db2.gz HYBADHXNTPHGDR-VWYCJHECSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 158485581 344127732 /nfs/dbraw/zinc/12/77/32/344127732.db2.gz INFOFSRVSWOXFA-DCAQKATOSA-N 2 1 182.311 1.598 20 0 ADADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC1 158588752 344128802 /nfs/dbraw/zinc/12/88/02/344128802.db2.gz QLISBFBTXHOFNA-VIFPVBQESA-N 2 1 168.284 1.080 20 0 ADADMP CCSCC[N@H+]1CC[C@H](C[NH3+])C1 158569899 344128898 /nfs/dbraw/zinc/12/88/98/344128898.db2.gz VBBUQYRCBWAOIP-SECBINFHSA-N 2 1 188.340 1.020 20 0 ADADMP CCSCC[N@@H+](C)CCC[NH3+] 158580019 344129023 /nfs/dbraw/zinc/12/90/23/344129023.db2.gz SVQIFQPIPBQFMQ-UHFFFAOYSA-N 2 1 176.329 1.020 20 0 ADADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCC1 158588330 344129118 /nfs/dbraw/zinc/12/91/18/344129118.db2.gz CWGIVRJATHAXAJ-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CCSCC[N@H+]1CC[C@@H](C[NH3+])C1 158570049 344129134 /nfs/dbraw/zinc/12/91/34/344129134.db2.gz VBBUQYRCBWAOIP-VIFPVBQESA-N 2 1 188.340 1.020 20 0 ADADMP CCSCC[N@@H+]1CCC[C@@H]1C[NH3+] 158581462 344129217 /nfs/dbraw/zinc/12/92/17/344129217.db2.gz VVKKQNLRVQBWIE-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP CCSCC[N@H+]1CCC[C@@H]1C[NH3+] 158581462 344129219 /nfs/dbraw/zinc/12/92/19/344129219.db2.gz VVKKQNLRVQBWIE-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCC1 158588186 344129231 /nfs/dbraw/zinc/12/92/31/344129231.db2.gz CWGIVRJATHAXAJ-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CCSCC[N@@H+]1CCC[NH2+]CC1 158558808 344129260 /nfs/dbraw/zinc/12/92/60/344129260.db2.gz RJKONFQFRDYUKM-UHFFFAOYSA-N 2 1 188.340 1.035 20 0 ADADMP CCSCC[N@H+]1CCC[NH2+]CC1 158558808 344129262 /nfs/dbraw/zinc/12/92/62/344129262.db2.gz RJKONFQFRDYUKM-UHFFFAOYSA-N 2 1 188.340 1.035 20 0 ADADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC1 158588619 344129273 /nfs/dbraw/zinc/12/92/73/344129273.db2.gz QLISBFBTXHOFNA-SECBINFHSA-N 2 1 168.284 1.080 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1CC1CC[NH2+]CC1 158594190 344129481 /nfs/dbraw/zinc/12/94/81/344129481.db2.gz ZFIVOMPCBBNZMV-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 158594446 344129567 /nfs/dbraw/zinc/12/95/67/344129567.db2.gz ZFIVOMPCBBNZMV-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](C[C@@H]2CC[NH2+]C2)C1 158596213 344129637 /nfs/dbraw/zinc/12/96/37/344129637.db2.gz IZWLNEDAGGRRRB-GMTAPVOTSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[C@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 158594318 344129656 /nfs/dbraw/zinc/12/96/56/344129656.db2.gz ZFIVOMPCBBNZMV-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1 158595921 344129672 /nfs/dbraw/zinc/12/96/72/344129672.db2.gz IZWLNEDAGGRRRB-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[C@@H](C)[N@@H+](CC2CC[NH2+]CC2)C1 158594594 344129842 /nfs/dbraw/zinc/12/98/42/344129842.db2.gz ZFIVOMPCBBNZMV-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 158634236 344130113 /nfs/dbraw/zinc/13/01/13/344130113.db2.gz JVCXUXRCEXHSLS-NXEZZACHSA-N 2 1 168.284 1.223 20 0 ADADMP C1CC1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 158902923 344135002 /nfs/dbraw/zinc/13/50/02/344135002.db2.gz FGFQOLIZFMKURK-MNOVXSKESA-N 2 1 180.295 1.223 20 0 ADADMP C1CC1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 158902923 344135003 /nfs/dbraw/zinc/13/50/03/344135003.db2.gz FGFQOLIZFMKURK-MNOVXSKESA-N 2 1 180.295 1.223 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCCC2)C1 159507753 344147023 /nfs/dbraw/zinc/14/70/23/344147023.db2.gz OAIUXBXRYAILRI-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCCC2)C1 159507883 344147067 /nfs/dbraw/zinc/14/70/67/344147067.db2.gz OAIUXBXRYAILRI-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC2)C1 159508895 344147100 /nfs/dbraw/zinc/14/71/00/344147100.db2.gz WDCIKKYLZVWDKJ-GXSJLCMTSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC2)C1 159509163 344147236 /nfs/dbraw/zinc/14/72/36/344147236.db2.gz WDCIKKYLZVWDKJ-ONGXEEELSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CCCC2)C1 159508028 344147273 /nfs/dbraw/zinc/14/72/73/344147273.db2.gz OAIUXBXRYAILRI-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCC2)C1 159509291 344147308 /nfs/dbraw/zinc/14/73/08/344147308.db2.gz WDCIKKYLZVWDKJ-KOLCDFICSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CCC2)C1 159509028 344147373 /nfs/dbraw/zinc/14/73/73/344147373.db2.gz WDCIKKYLZVWDKJ-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CCCC2)C1 159508167 344147390 /nfs/dbraw/zinc/14/73/90/344147390.db2.gz OAIUXBXRYAILRI-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC1 160351843 344163166 /nfs/dbraw/zinc/16/31/66/344163166.db2.gz DTRSKSKZRMRKRQ-WPRPVWTQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC1 160351461 344163237 /nfs/dbraw/zinc/16/32/37/344163237.db2.gz DTRSKSKZRMRKRQ-PSASIEDQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC1 160351704 344163341 /nfs/dbraw/zinc/16/33/41/344163341.db2.gz DTRSKSKZRMRKRQ-SCZZXKLOSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC1 160351568 344163446 /nfs/dbraw/zinc/16/34/46/344163446.db2.gz DTRSKSKZRMRKRQ-WCBMZHEXSA-N 2 1 168.284 1.066 20 0 ADADMP C1=C[C@@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 161124463 344185551 /nfs/dbraw/zinc/18/55/51/344185551.db2.gz UDUDRKXJBQFQAJ-GRYCIOLGSA-N 2 1 192.306 1.246 20 0 ADADMP C1=C[C@H]([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 161124370 344185601 /nfs/dbraw/zinc/18/56/01/344185601.db2.gz UDUDRKXJBQFQAJ-TUAOUCFPSA-N 2 1 192.306 1.246 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC1 161593836 344194612 /nfs/dbraw/zinc/19/46/12/344194612.db2.gz JNGUUSHXGRCEOU-ONGXEEELSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC1 161593836 344194615 /nfs/dbraw/zinc/19/46/15/344194615.db2.gz JNGUUSHXGRCEOU-ONGXEEELSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC1 161593739 344194644 /nfs/dbraw/zinc/19/46/44/344194644.db2.gz JNGUUSHXGRCEOU-KOLCDFICSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC1 161593739 344194648 /nfs/dbraw/zinc/19/46/48/344194648.db2.gz JNGUUSHXGRCEOU-KOLCDFICSA-N 2 1 182.311 1.469 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 161796471 344198137 /nfs/dbraw/zinc/19/81/37/344198137.db2.gz FUFUFNIGZZODED-BFUDSRACSA-N 2 1 196.338 1.857 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 161796471 344198140 /nfs/dbraw/zinc/19/81/40/344198140.db2.gz FUFUFNIGZZODED-BFUDSRACSA-N 2 1 196.338 1.857 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 161796595 344198223 /nfs/dbraw/zinc/19/82/23/344198223.db2.gz FUFUFNIGZZODED-UPOSSJBDSA-N 2 1 196.338 1.857 20 0 ADADMP CC[NH+]1CCC([NH2+]C2CC(C)C2)CC1 162329393 344205643 /nfs/dbraw/zinc/20/56/43/344205643.db2.gz KVQSCSFMQJZECP-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)(C)C 162693425 344212189 /nfs/dbraw/zinc/21/21/89/344212189.db2.gz YDKXASSRQGCGMV-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)(C)C 162693686 344212283 /nfs/dbraw/zinc/21/22/83/344212283.db2.gz YDKXASSRQGCGMV-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)(C)C 162693817 344212311 /nfs/dbraw/zinc/21/23/11/344212311.db2.gz YDKXASSRQGCGMV-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H](C[N@@H+]1CC[C@H]([NH3+])C1)C(C)(C)C 162965816 344216966 /nfs/dbraw/zinc/21/69/66/344216966.db2.gz IHSIIJNAANNXOI-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H](C[N@H+]1CC[C@H]([NH3+])C1)C(C)(C)C 162965816 344216968 /nfs/dbraw/zinc/21/69/68/344216968.db2.gz IHSIIJNAANNXOI-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H](C[N@@H+]1CC[C@H]([NH3+])C1)C(C)(C)C 162965933 344217197 /nfs/dbraw/zinc/21/71/97/344217197.db2.gz IHSIIJNAANNXOI-ZJUUUORDSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H](C[N@H+]1CC[C@H]([NH3+])C1)C(C)(C)C 162965933 344217198 /nfs/dbraw/zinc/21/71/98/344217198.db2.gz IHSIIJNAANNXOI-ZJUUUORDSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1C[NH3+] 163461997 344223559 /nfs/dbraw/zinc/22/35/59/344223559.db2.gz ARGFZDALFCWLTN-KOLCDFICSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1C[NH3+] 163462088 344223851 /nfs/dbraw/zinc/22/38/51/344223851.db2.gz ARGFZDALFCWLTN-ONGXEEELSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CC2)C1 163507962 344224264 /nfs/dbraw/zinc/22/42/64/344224264.db2.gz GVZPZIBAYLTTCD-WPRPVWTQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC2)C1 163507749 344224278 /nfs/dbraw/zinc/22/42/78/344224278.db2.gz GVZPZIBAYLTTCD-WCBMZHEXSA-N 2 1 168.284 1.066 20 0 ADADMP CC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163663778 344226296 /nfs/dbraw/zinc/22/62/96/344226296.db2.gz AOTGDQLEOYMNGW-AEJSXWLSSA-N 2 1 168.284 1.066 20 0 ADADMP CCC[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163663531 344226376 /nfs/dbraw/zinc/22/63/76/344226376.db2.gz RKMPIHKORIFSPV-AXFHLTTASA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 163667874 344226488 /nfs/dbraw/zinc/22/64/88/344226488.db2.gz RAZXLJDBKGVPIW-AXFHLTTASA-N 2 1 182.311 1.454 20 0 ADADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCF)C[C@@H]21 164404612 344244401 /nfs/dbraw/zinc/24/44/01/344244401.db2.gz PSTYPOOQKNBIAL-KXUCPTDWSA-N 2 1 186.274 1.015 20 0 ADADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCF)C[C@H]12 164404737 344244543 /nfs/dbraw/zinc/24/45/43/344244543.db2.gz PSTYPOOQKNBIAL-LPEHRKFASA-N 2 1 186.274 1.015 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 164645414 344248515 /nfs/dbraw/zinc/24/85/15/344248515.db2.gz DBOPDWHZXWABLL-MNOVXSKESA-N 2 1 184.327 1.559 20 0 ADADMP CC(C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C 165709045 344267848 /nfs/dbraw/zinc/26/78/48/344267848.db2.gz XPYIPYIULBNHSD-MNOVXSKESA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C 165709045 344267850 /nfs/dbraw/zinc/26/78/50/344267850.db2.gz XPYIPYIULBNHSD-MNOVXSKESA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C 165709171 344267930 /nfs/dbraw/zinc/26/79/30/344267930.db2.gz XPYIPYIULBNHSD-QWRGUYRKSA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C 165709171 344267931 /nfs/dbraw/zinc/26/79/31/344267931.db2.gz XPYIPYIULBNHSD-QWRGUYRKSA-N 2 1 184.327 1.713 20 0 ADADMP CC[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 166069030 344274138 /nfs/dbraw/zinc/27/41/38/344274138.db2.gz OSRYYMOOXMXUEM-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 167064408 344296224 /nfs/dbraw/zinc/29/62/24/344296224.db2.gz KNMFGXWOPAGIKT-ZNSHCXBVSA-N 2 1 182.311 1.312 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 167064515 344296479 /nfs/dbraw/zinc/29/64/79/344296479.db2.gz KNMFGXWOPAGIKT-VLEAKVRGSA-N 2 1 182.311 1.312 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 167311434 344302439 /nfs/dbraw/zinc/30/24/39/344302439.db2.gz JPNHVUJKLTYZJR-UTLUCORTSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]([NH3+])C1 167311258 344302507 /nfs/dbraw/zinc/30/25/07/344302507.db2.gz JPNHVUJKLTYZJR-BBBLOLIVSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 167593241 344308897 /nfs/dbraw/zinc/30/88/97/344308897.db2.gz HKZKKKYKHLXWEM-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 167593125 344308931 /nfs/dbraw/zinc/30/89/31/344308931.db2.gz HKZKKKYKHLXWEM-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] 167610087 344309152 /nfs/dbraw/zinc/30/91/52/344309152.db2.gz AWNSMWCJMSQRFA-JQWIXIFHSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1C[NH3+] 167609980 344309173 /nfs/dbraw/zinc/30/91/73/344309173.db2.gz AWNSMWCJMSQRFA-PWSUYJOCSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C/C=C/Cl 168978331 344341413 /nfs/dbraw/zinc/34/14/13/344341413.db2.gz SAUBQWNXBRQOFT-DTBGECHCSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C/C=C/Cl 168978331 344341416 /nfs/dbraw/zinc/34/14/16/344341416.db2.gz SAUBQWNXBRQOFT-DTBGECHCSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C/C=C/Cl 168978153 344341479 /nfs/dbraw/zinc/34/14/79/344341479.db2.gz SAUBQWNXBRQOFT-HBMQMAGWSA-N 2 1 188.702 1.551 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C/C=C/Cl 168978153 344341480 /nfs/dbraw/zinc/34/14/80/344341480.db2.gz SAUBQWNXBRQOFT-HBMQMAGWSA-N 2 1 188.702 1.551 20 0 ADADMP C[N@H+]1C[C@@H]2C[NH2+][C@H](C(C)(C)C)[C@@H]2C1 205818923 344374660 /nfs/dbraw/zinc/37/46/60/344374660.db2.gz VABNGNWKVASBMT-AEJSXWLSSA-N 2 1 182.311 1.182 20 0 ADADMP C[N@H+]1C[C@@H]2C[NH2+][C@@H](C(C)(C)C)[C@H]2C1 205818977 344374695 /nfs/dbraw/zinc/37/46/95/344374695.db2.gz VABNGNWKVASBMT-LPEHRKFASA-N 2 1 182.311 1.182 20 0 ADADMP C[N@H+]1C[C@@H]2C[NH2+][C@@H](C(C)(C)C)[C@@H]2C1 205818944 344374704 /nfs/dbraw/zinc/37/47/04/344374704.db2.gz VABNGNWKVASBMT-IVZWLZJFSA-N 2 1 182.311 1.182 20 0 ADADMP C[N@H+]1C[C@@H]2C[NH2+][C@H](C(C)(C)C)[C@H]2C1 205818958 344374873 /nfs/dbraw/zinc/37/48/73/344374873.db2.gz VABNGNWKVASBMT-GUBZILKMSA-N 2 1 182.311 1.182 20 0 ADADMP Cc1ccc([C@@H]2C[NH2+]C[C@H]2[NH3+])cc1 211420348 344377871 /nfs/dbraw/zinc/37/78/71/344377871.db2.gz GZSKCZZWYMDVGL-WDEREUQCSA-N 2 1 176.263 1.009 20 0 ADADMP Cc1cccc([C@@H]2C[NH2+]C[C@H]2[NH3+])c1 211419736 344377906 /nfs/dbraw/zinc/37/79/06/344377906.db2.gz STQGRIWXCRZGMQ-WDEREUQCSA-N 2 1 176.263 1.009 20 0 ADADMP Cc1cccc([C@H]2C[NH2+]C[C@@H]2[NH3+])c1 211419684 344377957 /nfs/dbraw/zinc/37/79/57/344377957.db2.gz STQGRIWXCRZGMQ-MNOVXSKESA-N 2 1 176.263 1.009 20 0 ADADMP Cc1ccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])cc1 211420207 344377979 /nfs/dbraw/zinc/37/79/79/344377979.db2.gz GZSKCZZWYMDVGL-QWRGUYRKSA-N 2 1 176.263 1.009 20 0 ADADMP Cc1cccc([C@H]2C[NH2+]C[C@H]2[NH3+])c1 211419803 344378019 /nfs/dbraw/zinc/37/80/19/344378019.db2.gz STQGRIWXCRZGMQ-GHMZBOCLSA-N 2 1 176.263 1.009 20 0 ADADMP Cc1cccc([C@@H]2C[NH2+]C[C@@H]2[NH3+])c1 211419605 344378029 /nfs/dbraw/zinc/37/80/29/344378029.db2.gz STQGRIWXCRZGMQ-QWRGUYRKSA-N 2 1 176.263 1.009 20 0 ADADMP Cc1ccc([C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 211420276 344378033 /nfs/dbraw/zinc/37/80/33/344378033.db2.gz GZSKCZZWYMDVGL-MNOVXSKESA-N 2 1 176.263 1.009 20 0 ADADMP CC(C)[N@@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 216493332 344398128 /nfs/dbraw/zinc/39/81/28/344398128.db2.gz RYHSIKHNJIDWKU-UWVGGRQHSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]2C[NH2+]C[C@@H]21 216493332 344398131 /nfs/dbraw/zinc/39/81/31/344398131.db2.gz RYHSIKHNJIDWKU-UWVGGRQHSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 216493382 344398194 /nfs/dbraw/zinc/39/81/94/344398194.db2.gz RYHSIKHNJIDWKU-ZJUUUORDSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]2C[NH2+]C[C@@H]21 216493382 344398196 /nfs/dbraw/zinc/39/81/96/344398196.db2.gz RYHSIKHNJIDWKU-ZJUUUORDSA-N 2 1 168.284 1.079 20 0 ADADMP CC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 217525312 344402320 /nfs/dbraw/zinc/40/23/20/344402320.db2.gz OAIRRWZBVQCCNI-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 217525226 344402508 /nfs/dbraw/zinc/40/25/08/344402508.db2.gz OAIRRWZBVQCCNI-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@H+](C/C=C\Cl)C1 217542329 344402801 /nfs/dbraw/zinc/40/28/01/344402801.db2.gz JIRPTGYLEIONGT-MDHMXLOGSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+](C/C=C\Cl)C1 217542409 344402968 /nfs/dbraw/zinc/40/29/68/344402968.db2.gz JIRPTGYLEIONGT-FIFYQCSRSA-N 2 1 188.702 1.410 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](C/C=C\Cl)C1 217542409 344402969 /nfs/dbraw/zinc/40/29/69/344402969.db2.gz JIRPTGYLEIONGT-FIFYQCSRSA-N 2 1 188.702 1.410 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 217652308 344404131 /nfs/dbraw/zinc/40/41/31/344404131.db2.gz MNLCNJCIXXRYRJ-RYUDHWBXSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 217652308 344404134 /nfs/dbraw/zinc/40/41/34/344404134.db2.gz MNLCNJCIXXRYRJ-RYUDHWBXSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 217652236 344404412 /nfs/dbraw/zinc/40/44/12/344404412.db2.gz MNLCNJCIXXRYRJ-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 219034269 344419010 /nfs/dbraw/zinc/41/90/10/344419010.db2.gz MOPTVFRRVNDTDE-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 219034269 344419012 /nfs/dbraw/zinc/41/90/12/344419012.db2.gz MOPTVFRRVNDTDE-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 219034342 344419020 /nfs/dbraw/zinc/41/90/20/344419020.db2.gz MOPTVFRRVNDTDE-GHMZBOCLSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 219034342 344419022 /nfs/dbraw/zinc/41/90/22/344419022.db2.gz MOPTVFRRVNDTDE-GHMZBOCLSA-N 2 1 182.311 1.326 20 0 ADADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C(C)(C)C 219134503 344420056 /nfs/dbraw/zinc/42/00/56/344420056.db2.gz IXJSBAFHVGMEBI-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C(C)(C)C 219134576 344420116 /nfs/dbraw/zinc/42/01/16/344420116.db2.gz IXJSBAFHVGMEBI-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)C(C)(C)C 219134677 344420550 /nfs/dbraw/zinc/42/05/50/344420550.db2.gz AMLHSCSAZTVCPV-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 219572047 344425569 /nfs/dbraw/zinc/42/55/69/344425569.db2.gz GFYIKWRCQRXRET-LBPRGKRZSA-N 2 1 196.338 1.862 20 0 ADADMP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H]1C 219682742 344426854 /nfs/dbraw/zinc/42/68/54/344426854.db2.gz LZSXEXRRSUYFCV-TUAOUCFPSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C 219683961 344427049 /nfs/dbraw/zinc/42/70/49/344427049.db2.gz APGQALOMDHLAIV-AXFHLTTASA-N 2 1 182.311 1.184 20 0 ADADMP [NH3+]C[C@@H]1CC[N@H+](C/C=C\Cl)C1 219739242 344427429 /nfs/dbraw/zinc/42/74/29/344427429.db2.gz MUDVIJHNGSHSRY-CJKINAQCSA-N 2 1 174.675 1.020 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](C/C=C\Cl)C1 219739242 344427431 /nfs/dbraw/zinc/42/74/31/344427431.db2.gz MUDVIJHNGSHSRY-CJKINAQCSA-N 2 1 174.675 1.020 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 219757314 344427554 /nfs/dbraw/zinc/42/75/54/344427554.db2.gz LUAIRHUGZCHBGQ-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@@]1(C)CCC[NH2+]C1 219757389 344427648 /nfs/dbraw/zinc/42/76/48/344427648.db2.gz LUAIRHUGZCHBGQ-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 219758394 344427881 /nfs/dbraw/zinc/42/78/81/344427881.db2.gz UBWSXMQDVLOPJL-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 219758313 344427896 /nfs/dbraw/zinc/42/78/96/344427896.db2.gz UBWSXMQDVLOPJL-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 221105232 344438090 /nfs/dbraw/zinc/43/80/90/344438090.db2.gz QQQWLQREPIQDPL-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)CC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 221412012 344442893 /nfs/dbraw/zinc/44/28/93/344442893.db2.gz ZOZAPASLZHREAI-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 221412012 344442896 /nfs/dbraw/zinc/44/28/96/344442896.db2.gz ZOZAPASLZHREAI-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C(C)(C)C 221514735 344443775 /nfs/dbraw/zinc/44/37/75/344443775.db2.gz IHSIIJNAANNXOI-NXEZZACHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H](C[N@H+]1CC[C@@H]([NH3+])C1)C(C)(C)C 221514735 344443777 /nfs/dbraw/zinc/44/37/77/344443777.db2.gz IHSIIJNAANNXOI-NXEZZACHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H](C[N@@H+]1CC[C@@H]([NH3+])C1)C(C)(C)C 221514686 344444005 /nfs/dbraw/zinc/44/40/05/344444005.db2.gz IHSIIJNAANNXOI-VHSXEESVSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H](C[N@H+]1CC[C@@H]([NH3+])C1)C(C)(C)C 221514686 344444006 /nfs/dbraw/zinc/44/40/06/344444006.db2.gz IHSIIJNAANNXOI-VHSXEESVSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH3+] 221971615 344447645 /nfs/dbraw/zinc/44/76/45/344447645.db2.gz UOQROLJEOPJZBP-UTLUCORTSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC[NH3+])C1 221971516 344447775 /nfs/dbraw/zinc/44/77/75/344447775.db2.gz UOQROLJEOPJZBP-BBBLOLIVSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@H+]1C 222185972 344449501 /nfs/dbraw/zinc/44/95/01/344449501.db2.gz FKMSWFHBFWYQGI-WDEREUQCSA-N 2 1 196.338 1.859 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 222169843 344449511 /nfs/dbraw/zinc/44/95/11/344449511.db2.gz FUFUFNIGZZODED-YECOWLKZSA-N 2 1 196.338 1.857 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 222169843 344449512 /nfs/dbraw/zinc/44/95/12/344449512.db2.gz FUFUFNIGZZODED-YECOWLKZSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@H+]1C 222185812 344449567 /nfs/dbraw/zinc/44/95/67/344449567.db2.gz FKMSWFHBFWYQGI-MNOVXSKESA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)CC[N@H+]1C 222185858 344449687 /nfs/dbraw/zinc/44/96/87/344449687.db2.gz FKMSWFHBFWYQGI-QWRGUYRKSA-N 2 1 196.338 1.859 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 222169792 344449719 /nfs/dbraw/zinc/44/97/19/344449719.db2.gz FUFUFNIGZZODED-LVFLEHKBSA-N 2 1 196.338 1.857 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 222169792 344449722 /nfs/dbraw/zinc/44/97/22/344449722.db2.gz FUFUFNIGZZODED-LVFLEHKBSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)CC[N@H+]1C 222185906 344449896 /nfs/dbraw/zinc/44/98/96/344449896.db2.gz FKMSWFHBFWYQGI-GHMZBOCLSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C1 222495825 344452969 /nfs/dbraw/zinc/45/29/69/344452969.db2.gz ZGUXHGINAXZIOQ-DTWKUNHWSA-N 2 1 156.273 1.079 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@H]([NH2+]C)C1 222495825 344452972 /nfs/dbraw/zinc/45/29/72/344452972.db2.gz ZGUXHGINAXZIOQ-DTWKUNHWSA-N 2 1 156.273 1.079 20 0 ADADMP CC[C@@H](C)[N@@H+]1CC[C@@H]([NH2+]C)C1 222495761 344453059 /nfs/dbraw/zinc/45/30/59/344453059.db2.gz ZGUXHGINAXZIOQ-RKDXNWHRSA-N 2 1 156.273 1.079 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@H]([NH2+]C)C1 222495761 344453062 /nfs/dbraw/zinc/45/30/62/344453062.db2.gz ZGUXHGINAXZIOQ-RKDXNWHRSA-N 2 1 156.273 1.079 20 0 ADADMP CC(C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 223303682 344459202 /nfs/dbraw/zinc/45/92/02/344459202.db2.gz LZYBSKDOLMMRJK-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@]1([NH3+])C[NH2+]C[C@@H]1c1ccccc1 225880589 344489090 /nfs/dbraw/zinc/48/90/90/344489090.db2.gz HTCAHFNSPLFRLK-MNOVXSKESA-N 2 1 176.263 1.091 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 226196221 344494497 /nfs/dbraw/zinc/49/44/97/344494497.db2.gz GYRZYXAGITYLSL-WDEREUQCSA-N 2 1 184.327 1.572 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@@H]2CC2(C)C)CC1 226322133 344498963 /nfs/dbraw/zinc/49/89/63/344498963.db2.gz SERWSUKDKYFSRB-JTQLQIEISA-N 2 1 196.338 1.716 20 0 ADADMP C[NH+]1CCC([NH2+]C[C@H]2CC2(C)C)CC1 226322140 344498995 /nfs/dbraw/zinc/49/89/95/344498995.db2.gz SERWSUKDKYFSRB-SNVBAGLBSA-N 2 1 196.338 1.716 20 0 ADADMP C[NH+]1CCC([NH2+]CC2(C)CC2)CC1 226330385 344499424 /nfs/dbraw/zinc/49/94/24/344499424.db2.gz BMFOWYOINJNOIF-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]C2CC2)[C@@H](C)C1 226857720 344515838 /nfs/dbraw/zinc/51/58/38/344515838.db2.gz HYYYKTNXWUFDEL-ONGXEEELSA-N 2 1 182.311 1.469 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC2)[C@@H](C)C1 226857709 344515986 /nfs/dbraw/zinc/51/59/86/344515986.db2.gz HYYYKTNXWUFDEL-GXSJLCMTSA-N 2 1 182.311 1.469 20 0 ADADMP [NH3+]C[C@H]1CC[N@H+](C/C=C\Cl)C1 226979929 344518250 /nfs/dbraw/zinc/51/82/50/344518250.db2.gz MUDVIJHNGSHSRY-XKKRXVNHSA-N 2 1 174.675 1.020 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](C/C=C\Cl)C1 226979929 344518252 /nfs/dbraw/zinc/51/82/52/344518252.db2.gz MUDVIJHNGSHSRY-XKKRXVNHSA-N 2 1 174.675 1.020 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 227207861 344525693 /nfs/dbraw/zinc/52/56/93/344525693.db2.gz OLLNGCIEGWCOFC-GARJFASQSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228005532 344554419 /nfs/dbraw/zinc/55/44/19/344554419.db2.gz INFOFSRVSWOXFA-GARJFASQSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 228005532 344554422 /nfs/dbraw/zinc/55/44/22/344554422.db2.gz INFOFSRVSWOXFA-GARJFASQSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228476915 344562522 /nfs/dbraw/zinc/56/25/22/344562522.db2.gz RAZXLJDBKGVPIW-HBNTYKKESA-N 2 1 182.311 1.454 20 0 ADADMP CC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228471854 344562557 /nfs/dbraw/zinc/56/25/57/344562557.db2.gz AOTGDQLEOYMNGW-IVZWLZJFSA-N 2 1 168.284 1.066 20 0 ADADMP CCC[N@@H+]1C[C@H]2[C@H]([NH3+])CCC[C@H]2C1 228471826 344562575 /nfs/dbraw/zinc/56/25/75/344562575.db2.gz RKMPIHKORIFSPV-HBNTYKKESA-N 2 1 182.311 1.456 20 0 ADADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCF)C[C@H]21 228547789 344563559 /nfs/dbraw/zinc/56/35/59/344563559.db2.gz PSTYPOOQKNBIAL-OPRDCNLKSA-N 2 1 186.274 1.015 20 0 ADADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCF)C[C@@H]12 228547800 344563669 /nfs/dbraw/zinc/56/36/69/344563669.db2.gz PSTYPOOQKNBIAL-IVZWLZJFSA-N 2 1 186.274 1.015 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1C[C@H]1C 228723889 344566924 /nfs/dbraw/zinc/56/69/24/344566924.db2.gz ZXSPFOGGCFZCRA-LMLFDSFASA-N 2 1 182.311 1.454 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 228756348 344567790 /nfs/dbraw/zinc/56/77/90/344567790.db2.gz JPNHVUJKLTYZJR-OPRDCNLKSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 228756367 344567864 /nfs/dbraw/zinc/56/78/64/344567864.db2.gz JPNHVUJKLTYZJR-KXUCPTDWSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 228756354 344567938 /nfs/dbraw/zinc/56/79/38/344567938.db2.gz JPNHVUJKLTYZJR-IVZWLZJFSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 228756378 344568037 /nfs/dbraw/zinc/56/80/37/344568037.db2.gz JPNHVUJKLTYZJR-LPEHRKFASA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@H](C)C[NH3+])C1 228924157 344575539 /nfs/dbraw/zinc/57/55/39/344575539.db2.gz HDVNRPDPEJILKK-IWSPIJDZSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH3+])C1 228924170 344575694 /nfs/dbraw/zinc/57/56/94/344575694.db2.gz HDVNRPDPEJILKK-HLTSFMKQSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCC1 229113266 344582373 /nfs/dbraw/zinc/58/23/73/344582373.db2.gz OYZCPYARQPGBFY-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC1CCC1 229113259 344582534 /nfs/dbraw/zinc/58/25/34/344582534.db2.gz OYZCPYARQPGBFY-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCC1 229113251 344582573 /nfs/dbraw/zinc/58/25/73/344582573.db2.gz OYZCPYARQPGBFY-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC1CCC1 229113238 344582660 /nfs/dbraw/zinc/58/26/60/344582660.db2.gz OYZCPYARQPGBFY-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CCC2)C1 229139391 344583552 /nfs/dbraw/zinc/58/35/52/344583552.db2.gz KIUKJSRZHLOJCO-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+](CCC2CCC2)C1 229139400 344583681 /nfs/dbraw/zinc/58/36/81/344583681.db2.gz KIUKJSRZHLOJCO-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP CC[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229541042 344601577 /nfs/dbraw/zinc/60/15/77/344601577.db2.gz LJBLYDXAGWWIKX-IUCAKERBSA-N 2 1 156.273 1.079 20 0 ADADMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229540553 344601590 /nfs/dbraw/zinc/60/15/90/344601590.db2.gz LLBYBZFIZSHRDB-VHSXEESVSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[N@@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 229540564 344601621 /nfs/dbraw/zinc/60/16/21/344601621.db2.gz LLBYBZFIZSHRDB-UWVGGRQHSA-N 2 1 170.300 1.467 20 0 ADADMP CC[N@@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 229541032 344601705 /nfs/dbraw/zinc/60/17/05/344601705.db2.gz LJBLYDXAGWWIKX-DTWKUNHWSA-N 2 1 156.273 1.079 20 0 ADADMP C[C@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 229633689 344608097 /nfs/dbraw/zinc/60/80/97/344608097.db2.gz GYLHSAHYVQCKII-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 229633689 344608100 /nfs/dbraw/zinc/60/81/00/344608100.db2.gz GYLHSAHYVQCKII-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 229633682 344608132 /nfs/dbraw/zinc/60/81/32/344608132.db2.gz GYLHSAHYVQCKII-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 229633682 344608134 /nfs/dbraw/zinc/60/81/34/344608134.db2.gz GYLHSAHYVQCKII-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 229633698 344608235 /nfs/dbraw/zinc/60/82/35/344608235.db2.gz GYLHSAHYVQCKII-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H]([NH3+])C2)C1 229633710 344608401 /nfs/dbraw/zinc/60/84/01/344608401.db2.gz GYLHSAHYVQCKII-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[C@H](C[N@H+]2CC[C@@H]([NH3+])C2)C1 229633710 344608402 /nfs/dbraw/zinc/60/84/02/344608402.db2.gz GYLHSAHYVQCKII-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)[N@H+]1CC[C@@]2(CCC[NH+](C)C2)C1 231245707 344649921 /nfs/dbraw/zinc/64/99/21/344649921.db2.gz TYCSKNYUAZYKAE-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[NH+]1CC[C@@]2(CCC[N@H+](C)C2)C1 231245707 344649924 /nfs/dbraw/zinc/64/99/24/344649924.db2.gz TYCSKNYUAZYKAE-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[NH+]1CC[C@@]2(CCC[N@@H+](C)C2)C1 231245707 344649926 /nfs/dbraw/zinc/64/99/26/344649926.db2.gz TYCSKNYUAZYKAE-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[N@H+]1CC[C@]2(CCC[NH+](C)C2)C1 231245684 344649990 /nfs/dbraw/zinc/64/99/90/344649990.db2.gz TYCSKNYUAZYKAE-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[NH+]1CC[C@]2(CCC[N@H+](C)C2)C1 231245684 344649993 /nfs/dbraw/zinc/64/99/93/344649993.db2.gz TYCSKNYUAZYKAE-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[NH+]1CC[C@]2(CCC[N@@H+](C)C2)C1 231245684 344649996 /nfs/dbraw/zinc/64/99/96/344649996.db2.gz TYCSKNYUAZYKAE-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)CC[N@H+]1C[C@H](C)[C@@H]([NH3+])C1 232567261 344683232 /nfs/dbraw/zinc/68/32/32/344683232.db2.gz BMXGQBNZKQIZNE-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)C[N@H+]1CC[C@@](C)(C[NH3+])C1 232575042 344683850 /nfs/dbraw/zinc/68/38/50/344683850.db2.gz JPGGSKWYJJPZIQ-JTQLQIEISA-N 2 1 170.300 1.313 20 0 ADADMP CC(C)C[N@H+]1CC[C@](C)(C[NH3+])C1 232576382 344684049 /nfs/dbraw/zinc/68/40/49/344684049.db2.gz JPGGSKWYJJPZIQ-SNVBAGLBSA-N 2 1 170.300 1.313 20 0 ADADMP CC(C)[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 232651836 344686874 /nfs/dbraw/zinc/68/68/74/344686874.db2.gz BJSQBPBKGZQGGZ-QWRGUYRKSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 232650794 344686911 /nfs/dbraw/zinc/68/69/11/344686911.db2.gz BJSQBPBKGZQGGZ-WDEREUQCSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C 232651186 344687117 /nfs/dbraw/zinc/68/71/17/344687117.db2.gz XWTCZHAULKBHCQ-SNVBAGLBSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C 232670122 344687593 /nfs/dbraw/zinc/68/75/93/344687593.db2.gz XWTCZHAULKBHCQ-JTQLQIEISA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)[N@H+]1CC[C@@](C)(C[NH3+])C1 232677968 344687872 /nfs/dbraw/zinc/68/78/72/344687872.db2.gz PYLGLJRVZDUUEN-VIFPVBQESA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)[N@H+]1CC[C@](C)(C[NH3+])C1 232684100 344687983 /nfs/dbraw/zinc/68/79/83/344687983.db2.gz PYLGLJRVZDUUEN-SECBINFHSA-N 2 1 156.273 1.066 20 0 ADADMP CC1CCC([NH2+][C@H](C)C[NH3+])CC1 232822679 344693209 /nfs/dbraw/zinc/69/32/09/344693209.db2.gz FFAMEGXXIOWDFS-HWOCKDDLSA-N 2 1 170.300 1.502 20 0 ADADMP CC1(C[NH2+][C@H]2CCC[NH2+]C2)CCC1 233028329 344699075 /nfs/dbraw/zinc/69/90/75/344699075.db2.gz QTGHPQGKGQIIGK-JTQLQIEISA-N 2 1 182.311 1.518 20 0 ADADMP CCC[N@H+]1CC[C@](C)(C[NH3+])C1 233034396 344699269 /nfs/dbraw/zinc/69/92/69/344699269.db2.gz AXMWDBNDWDFIRV-SECBINFHSA-N 2 1 156.273 1.067 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 233840999 344704888 /nfs/dbraw/zinc/70/48/88/344704888.db2.gz KRYROYDFQPZTEF-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 234018228 344710405 /nfs/dbraw/zinc/71/04/05/344710405.db2.gz KRYROYDFQPZTEF-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCc2ccccc21 235101512 344732976 /nfs/dbraw/zinc/73/29/76/344732976.db2.gz ZYFDUCKHBXSKMO-CABZTGNLSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 235125703 344733736 /nfs/dbraw/zinc/73/37/36/344733736.db2.gz ZDGPFLHIPMYMKM-VIFPVBQESA-N 2 1 190.290 1.091 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1CCC(C)(C)CC1 235124565 344733840 /nfs/dbraw/zinc/73/38/40/344733840.db2.gz KMNLUMSYYKMSJQ-VIFPVBQESA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc21 235149103 344734454 /nfs/dbraw/zinc/73/44/54/344734454.db2.gz ZYFDUCKHBXSKMO-JOYOIKCWSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 235260705 344738601 /nfs/dbraw/zinc/73/86/01/344738601.db2.gz NLBSYLKLAXIHQJ-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCC[C@H]1C 235263665 344738937 /nfs/dbraw/zinc/73/89/37/344738937.db2.gz PZDQKOQHECDXSG-MXWKQRLJSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 235266701 344739102 /nfs/dbraw/zinc/73/91/02/344739102.db2.gz NLBSYLKLAXIHQJ-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](C)C1 235315519 344742664 /nfs/dbraw/zinc/74/26/64/344742664.db2.gz XHLQFFYAZLVRJW-MXWKQRLJSA-N 2 1 182.311 1.184 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1[NH3+] 235352156 344745697 /nfs/dbraw/zinc/74/56/97/344745697.db2.gz HLFRDFHLJGOHRK-ZJUUUORDSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC2)CC[NH2+]1 235364182 344746071 /nfs/dbraw/zinc/74/60/71/344746071.db2.gz LPRQDWPKKVQFCN-NXEZZACHSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1[NH3+] 235359215 344746441 /nfs/dbraw/zinc/74/64/41/344746441.db2.gz WFNIMBXNGLQLBR-ZJUUUORDSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC2)CC[NH2+]1 235378621 344746957 /nfs/dbraw/zinc/74/69/57/344746957.db2.gz LPRQDWPKKVQFCN-ZJUUUORDSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CCCC2)C1 235438311 344749873 /nfs/dbraw/zinc/74/98/73/344749873.db2.gz FYOKGGJUOPMHRT-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CCC2)C1 235438279 344749895 /nfs/dbraw/zinc/74/98/95/344749895.db2.gz ZUMQMKQQASIDAX-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1Cc2ccccc2C1 235449219 344750006 /nfs/dbraw/zinc/75/00/06/344750006.db2.gz ZDGPFLHIPMYMKM-SECBINFHSA-N 2 1 190.290 1.091 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CC2)C1 235438252 344750122 /nfs/dbraw/zinc/75/01/22/344750122.db2.gz GDKCWMREKXOYMT-JTQLQIEISA-N 2 1 168.284 1.067 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1CCC(C)(C)CC1 235448834 344750141 /nfs/dbraw/zinc/75/01/41/344750141.db2.gz KMNLUMSYYKMSJQ-SECBINFHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCCC1(C)C 235463193 344750503 /nfs/dbraw/zinc/75/05/03/344750503.db2.gz KVAWJZXCWCORAP-ZJUUUORDSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCc2ccccc21 235460711 344750569 /nfs/dbraw/zinc/75/05/69/344750569.db2.gz ZYFDUCKHBXSKMO-BXKDBHETSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC1(C)C 235460037 344750595 /nfs/dbraw/zinc/75/05/95/344750595.db2.gz RPYAJLRRZQETDS-RKDXNWHRSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC(C)(C)C1 235460024 344750767 /nfs/dbraw/zinc/75/07/67/344750767.db2.gz UOEJHQOUGQQZQO-NXEZZACHSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 235460297 344750771 /nfs/dbraw/zinc/75/07/71/344750771.db2.gz NOSLWXAVDKWRHR-DJLDLDEBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH3+] 235575986 344756431 /nfs/dbraw/zinc/75/64/31/344756431.db2.gz HDWQCEUEFGVLCB-DTWKUNHWSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@@H]1[NH3+] 235581978 344757642 /nfs/dbraw/zinc/75/76/42/344757642.db2.gz WFNIMBXNGLQLBR-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH3+] 235589267 344758153 /nfs/dbraw/zinc/75/81/53/344758153.db2.gz HDWQCEUEFGVLCB-IUCAKERBSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C1C[C@H](C)C[C@@H](C)C1 235637662 344760497 /nfs/dbraw/zinc/76/04/97/344760497.db2.gz JBWSRENDJGCQQW-BBBLOLIVSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]1CC([NH2+][C@H](C)C[NH3+])C[C@H](C)C1 235638016 344761354 /nfs/dbraw/zinc/76/13/54/344761354.db2.gz JBWSRENDJGCQQW-OPRDCNLKSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 235650942 344761752 /nfs/dbraw/zinc/76/17/52/344761752.db2.gz XHLQFFYAZLVRJW-AXFHLTTASA-N 2 1 182.311 1.184 20 0 ADADMP C[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1[NH3+] 235669398 344762188 /nfs/dbraw/zinc/76/21/88/344762188.db2.gz VMRDEZNODQHRFU-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1[NH3+] 235663997 344762294 /nfs/dbraw/zinc/76/22/94/344762294.db2.gz HLFRDFHLJGOHRK-UWVGGRQHSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCC2)CC[NH2+]1 235697122 344763498 /nfs/dbraw/zinc/76/34/98/344763498.db2.gz JFEOKLFMPWMNID-QWRGUYRKSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC2)CC[NH2+]1 235697088 344763594 /nfs/dbraw/zinc/76/35/94/344763594.db2.gz LPRQDWPKKVQFCN-UWVGGRQHSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CC2)C1 235706709 344764048 /nfs/dbraw/zinc/76/40/48/344764048.db2.gz GDKCWMREKXOYMT-SNVBAGLBSA-N 2 1 168.284 1.067 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CCCC2)C1 235706766 344764057 /nfs/dbraw/zinc/76/40/57/344764057.db2.gz FYOKGGJUOPMHRT-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CCC2)C1 235706740 344764065 /nfs/dbraw/zinc/76/40/65/344764065.db2.gz ZUMQMKQQASIDAX-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C 235704676 344764170 /nfs/dbraw/zinc/76/41/70/344764170.db2.gz QJUCAOCYDCTGPA-RYUDHWBXSA-N 2 1 196.338 1.882 20 0 ADADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC2)CC[NH2+]1 235723327 344764290 /nfs/dbraw/zinc/76/42/90/344764290.db2.gz LPRQDWPKKVQFCN-VHSXEESVSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCC2)CC[NH2+]1 235723369 344764299 /nfs/dbraw/zinc/76/42/99/344764299.db2.gz JFEOKLFMPWMNID-WDEREUQCSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C 235726089 344764704 /nfs/dbraw/zinc/76/47/04/344764704.db2.gz QJUCAOCYDCTGPA-NWDGAFQWSA-N 2 1 196.338 1.882 20 0 ADADMP CC(C)=CCC[N@@H+]1CCC[C@@H]([NH3+])C1 238145472 344793974 /nfs/dbraw/zinc/79/39/74/344793974.db2.gz UAUGLDSNJAMLOK-LLVKDONJSA-N 2 1 182.311 1.766 20 0 ADADMP CC(C)=CCC[N@@H+]1CCC[C@H]([NH3+])C1 238145574 344794035 /nfs/dbraw/zinc/79/40/35/344794035.db2.gz UAUGLDSNJAMLOK-NSHDSACASA-N 2 1 182.311 1.766 20 0 ADADMP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 250495673 344834431 /nfs/dbraw/zinc/83/44/31/344834431.db2.gz IUTWKWRTLRWYRA-UWVGGRQHSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 250495673 344834435 /nfs/dbraw/zinc/83/44/35/344834435.db2.gz IUTWKWRTLRWYRA-UWVGGRQHSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 250496570 344834499 /nfs/dbraw/zinc/83/44/99/344834499.db2.gz JNZNQMQUHWOEOO-UWVGGRQHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 250596652 344836744 /nfs/dbraw/zinc/83/67/44/344836744.db2.gz OCGKQTREPYTBGE-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 250594130 344837009 /nfs/dbraw/zinc/83/70/09/344837009.db2.gz MOPTVFRRVNDTDE-MNOVXSKESA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 250594135 344836977 /nfs/dbraw/zinc/83/69/77/344836977.db2.gz MOPTVFRRVNDTDE-QWRGUYRKSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 250594135 344836979 /nfs/dbraw/zinc/83/69/79/344836979.db2.gz MOPTVFRRVNDTDE-QWRGUYRKSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 250594130 344837007 /nfs/dbraw/zinc/83/70/07/344837007.db2.gz MOPTVFRRVNDTDE-MNOVXSKESA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 250596650 344837166 /nfs/dbraw/zinc/83/71/66/344837166.db2.gz OCGKQTREPYTBGE-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 250774761 344840984 /nfs/dbraw/zinc/84/09/84/344840984.db2.gz UQJQBBPHFGNKOZ-QWRGUYRKSA-N 2 1 182.311 1.611 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250774760 344840999 /nfs/dbraw/zinc/84/09/99/344840999.db2.gz UQJQBBPHFGNKOZ-MNOVXSKESA-N 2 1 182.311 1.611 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 250817720 344841832 /nfs/dbraw/zinc/84/18/32/344841832.db2.gz OBCSIPRHLHQVBH-MNOVXSKESA-N 2 1 182.311 1.613 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C 250816363 344842054 /nfs/dbraw/zinc/84/20/54/344842054.db2.gz NWRQJNGJNPHOQV-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)[C@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251441210 344854073 /nfs/dbraw/zinc/85/40/73/344854073.db2.gz VIJKVVJTNIVFHT-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[C@@H]1CCC[N@H+]1C[C@H]1CC[NH2+]C1 251441211 344854212 /nfs/dbraw/zinc/85/42/12/344854212.db2.gz VIJKVVJTNIVFHT-RYUDHWBXSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 251616499 344861290 /nfs/dbraw/zinc/86/12/90/344861290.db2.gz CIKZISRLKHEBDX-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251613278 344861366 /nfs/dbraw/zinc/86/13/66/344861366.db2.gz DQMDUFARHNIDPY-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251613277 344861389 /nfs/dbraw/zinc/86/13/89/344861389.db2.gz DQMDUFARHNIDPY-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)CC1 251616489 344861599 /nfs/dbraw/zinc/86/15/99/344861599.db2.gz CIKZISRLKHEBDX-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1C[N@@H+](CC(C)C)CC[C@H]1[NH3+] 251642632 344862910 /nfs/dbraw/zinc/86/29/10/344862910.db2.gz GAVJZMMBTPDMJW-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H]1C[N@@H+](CC2CC2)CC[C@H]1[NH3+] 251656075 344863269 /nfs/dbraw/zinc/86/32/69/344863269.db2.gz GTWCRTSXUAATIE-WDEREUQCSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1[NH3+] 251656073 344863844 /nfs/dbraw/zinc/86/38/44/344863844.db2.gz GTWCRTSXUAATIE-GHMZBOCLSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 251686467 344865931 /nfs/dbraw/zinc/86/59/31/344865931.db2.gz MVRCEZDUFJIWBW-QWRGUYRKSA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251689365 344865977 /nfs/dbraw/zinc/86/59/77/344865977.db2.gz IIDIKTKXCNJZEK-MNOVXSKESA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 251689368 344866193 /nfs/dbraw/zinc/86/61/93/344866193.db2.gz IIDIKTKXCNJZEK-QWRGUYRKSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH3+])C1 251763643 344871154 /nfs/dbraw/zinc/87/11/54/344871154.db2.gz UKNPISGILUFJRN-BBBLOLIVSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1CC[N@H+]([C@H]2CCC[C@@H]2[NH3+])C1 251763647 344871430 /nfs/dbraw/zinc/87/14/30/344871430.db2.gz UKNPISGILUFJRN-UTLUCORTSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1CC[N@H+]([C@@H]2CCC[C@H]2[NH3+])C1 251763645 344871450 /nfs/dbraw/zinc/87/14/50/344871450.db2.gz UKNPISGILUFJRN-OPRDCNLKSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[N@H+](C/C=C\Cl)CC[C@H]1[NH3+] 251838948 344875717 /nfs/dbraw/zinc/87/57/17/344875717.db2.gz QGKSGULOIJCEQY-HWTYGCMBSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C\Cl)CC[C@H]1[NH3+] 251838948 344875718 /nfs/dbraw/zinc/87/57/18/344875718.db2.gz QGKSGULOIJCEQY-HWTYGCMBSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[N@H+](C/C=C/Cl)CC[C@H]1[NH3+] 251838946 344875755 /nfs/dbraw/zinc/87/57/55/344875755.db2.gz QGKSGULOIJCEQY-HBMQMAGWSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1C[N@@H+](C/C=C/Cl)CC[C@H]1[NH3+] 251838946 344875757 /nfs/dbraw/zinc/87/57/57/344875757.db2.gz QGKSGULOIJCEQY-HBMQMAGWSA-N 2 1 188.702 1.408 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH3+])C[C@H]1C 251855669 344877159 /nfs/dbraw/zinc/87/71/59/344877159.db2.gz PKFFNNHFTAPYFF-OPRDCNLKSA-N 2 1 170.300 1.359 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 251861577 344877200 /nfs/dbraw/zinc/87/72/00/344877200.db2.gz OLLNGCIEGWCOFC-HBNTYKKESA-N 2 1 184.327 1.844 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 251861576 344877400 /nfs/dbraw/zinc/87/74/00/344877400.db2.gz OLLNGCIEGWCOFC-AXFHLTTASA-N 2 1 184.327 1.844 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 251866911 344878105 /nfs/dbraw/zinc/87/81/05/344878105.db2.gz QHFCGKCXVKEOFK-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 251866912 344878127 /nfs/dbraw/zinc/87/81/27/344878127.db2.gz QHFCGKCXVKEOFK-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252033226 344883133 /nfs/dbraw/zinc/88/31/33/344883133.db2.gz ZRDIHDCWJQFASO-UTUOFQBUSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252033225 344883441 /nfs/dbraw/zinc/88/34/41/344883441.db2.gz ZRDIHDCWJQFASO-TUAOUCFPSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 252033225 344883444 /nfs/dbraw/zinc/88/34/44/344883444.db2.gz ZRDIHDCWJQFASO-TUAOUCFPSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 252094709 344884511 /nfs/dbraw/zinc/88/45/11/344884511.db2.gz FGVVTVAUIJQNPT-OUAUKWLOSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 252094710 344884754 /nfs/dbraw/zinc/88/47/54/344884754.db2.gz FGVVTVAUIJQNPT-VWYCJHECSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1C[N@@H+](CC)CC[C@H]1[NH3+] 252679035 344907679 /nfs/dbraw/zinc/90/76/79/344907679.db2.gz XPFVOJPNTIEVNC-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H]1C[N@H+](C(C)C)CC[C@H]1[NH3+] 252679055 344907729 /nfs/dbraw/zinc/90/77/29/344907729.db2.gz YMGXWYLGNVEXDY-NXEZZACHSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H]1C[N@@H+](CC)CC[C@H]1[NH3+] 252679036 344907753 /nfs/dbraw/zinc/90/77/53/344907753.db2.gz XPFVOJPNTIEVNC-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1C[C@H]1CC[NH2+]C1 252686064 344908197 /nfs/dbraw/zinc/90/81/97/344908197.db2.gz IZWLNEDAGGRRRB-VWYCJHECSA-N 2 1 182.311 1.326 20 0 ADADMP CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252838934 344915956 /nfs/dbraw/zinc/91/59/56/344915956.db2.gz AOTGDQLEOYMNGW-GUBZILKMSA-N 2 1 168.284 1.066 20 0 ADADMP CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 252838935 344916013 /nfs/dbraw/zinc/91/60/13/344916013.db2.gz AOTGDQLEOYMNGW-LPEHRKFASA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252867562 344917392 /nfs/dbraw/zinc/91/73/92/344917392.db2.gz RAZXLJDBKGVPIW-DCAQKATOSA-N 2 1 182.311 1.454 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 252868243 344917417 /nfs/dbraw/zinc/91/74/17/344917417.db2.gz RKMPIHKORIFSPV-DCAQKATOSA-N 2 1 182.311 1.456 20 0 ADADMP CC[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252944657 344920346 /nfs/dbraw/zinc/92/03/46/344920346.db2.gz LJBLYDXAGWWIKX-BDAKNGLRSA-N 2 1 156.273 1.079 20 0 ADADMP CC[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252944659 344920384 /nfs/dbraw/zinc/92/03/84/344920384.db2.gz LJBLYDXAGWWIKX-RKDXNWHRSA-N 2 1 156.273 1.079 20 0 ADADMP CC(C)[N@@H+](C)[C@H]1CC[NH2+][C@H](C)C1 252944761 344921193 /nfs/dbraw/zinc/92/11/93/344921193.db2.gz LLBYBZFIZSHRDB-ZJUUUORDSA-N 2 1 170.300 1.467 20 0 ADADMP CC(C)[N@@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 252944760 344921223 /nfs/dbraw/zinc/92/12/23/344921223.db2.gz LLBYBZFIZSHRDB-NXEZZACHSA-N 2 1 170.300 1.467 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 252972792 344923421 /nfs/dbraw/zinc/92/34/21/344923421.db2.gz ZXSPFOGGCFZCRA-DBIOUOCHSA-N 2 1 182.311 1.454 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 252972793 344923399 /nfs/dbraw/zinc/92/33/99/344923399.db2.gz ZXSPFOGGCFZCRA-GWOFURMSSA-N 2 1 182.311 1.454 20 0 ADADMP CSCC[C@@H](C)[N@H+](C)C[C@H](C)[NH3+] 253079911 344926609 /nfs/dbraw/zinc/92/66/09/344926609.db2.gz VAGOBHHGQSUERW-DTWKUNHWSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@@H](C)[N@@H+](C)C[C@H](C)[NH3+] 253079911 344926611 /nfs/dbraw/zinc/92/66/11/344926611.db2.gz VAGOBHHGQSUERW-DTWKUNHWSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@H](C)[N@H+](C)C[C@H](C)[NH3+] 253079912 344926641 /nfs/dbraw/zinc/92/66/41/344926641.db2.gz VAGOBHHGQSUERW-IUCAKERBSA-N 2 1 190.356 1.407 20 0 ADADMP CSCC[C@H](C)[N@@H+](C)C[C@H](C)[NH3+] 253079912 344926645 /nfs/dbraw/zinc/92/66/45/344926645.db2.gz VAGOBHHGQSUERW-IUCAKERBSA-N 2 1 190.356 1.407 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])C[C@H]1C 253080241 344926671 /nfs/dbraw/zinc/92/66/71/344926671.db2.gz VHJYFVIAWPFZFU-VHSXEESVSA-N 2 1 170.300 1.313 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 253245166 344932052 /nfs/dbraw/zinc/93/20/52/344932052.db2.gz GATMLGPONHLTAE-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C1 253245167 344932131 /nfs/dbraw/zinc/93/21/31/344932131.db2.gz GATMLGPONHLTAE-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 253283952 344932449 /nfs/dbraw/zinc/93/24/49/344932449.db2.gz MMEUMPASJWVVPJ-MXWKQRLJSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 253283953 344932696 /nfs/dbraw/zinc/93/26/96/344932696.db2.gz MMEUMPASJWVVPJ-VWYCJHECSA-N 2 1 182.311 1.517 20 0 ADADMP C[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 257848775 344943354 /nfs/dbraw/zinc/94/33/54/344943354.db2.gz DJCJWGDZDIRGBX-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 259125845 344947321 /nfs/dbraw/zinc/94/73/21/344947321.db2.gz QDZZUJFLQLYBNT-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 259125845 344947322 /nfs/dbraw/zinc/94/73/22/344947322.db2.gz QDZZUJFLQLYBNT-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 259125848 344947491 /nfs/dbraw/zinc/94/74/91/344947491.db2.gz QDZZUJFLQLYBNT-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 259125848 344947493 /nfs/dbraw/zinc/94/74/93/344947493.db2.gz QDZZUJFLQLYBNT-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 259125848 344947495 /nfs/dbraw/zinc/94/74/95/344947495.db2.gz QDZZUJFLQLYBNT-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 259319058 344947876 /nfs/dbraw/zinc/94/78/76/344947876.db2.gz QQQWLQREPIQDPL-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 259319064 344947927 /nfs/dbraw/zinc/94/79/27/344947927.db2.gz QQQWLQREPIQDPL-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)[N@@H+](C)C[C@H]1CCCN(C)C1 260253263 344952358 /nfs/dbraw/zinc/95/23/58/344952358.db2.gz WTKKESWPGUMYCY-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 260253263 344952361 /nfs/dbraw/zinc/95/23/61/344952361.db2.gz WTKKESWPGUMYCY-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 260253263 344952364 /nfs/dbraw/zinc/95/23/64/344952364.db2.gz WTKKESWPGUMYCY-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 260253263 344952366 /nfs/dbraw/zinc/95/23/66/344952366.db2.gz WTKKESWPGUMYCY-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 260253263 344952369 /nfs/dbraw/zinc/95/23/69/344952369.db2.gz WTKKESWPGUMYCY-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H]1CCCN(C)C1 260253261 344952530 /nfs/dbraw/zinc/95/25/30/344952530.db2.gz WTKKESWPGUMYCY-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 260253261 344952534 /nfs/dbraw/zinc/95/25/34/344952534.db2.gz WTKKESWPGUMYCY-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 260253261 344952535 /nfs/dbraw/zinc/95/25/35/344952535.db2.gz WTKKESWPGUMYCY-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 260253261 344952538 /nfs/dbraw/zinc/95/25/38/344952538.db2.gz WTKKESWPGUMYCY-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC(C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 260253261 344952540 /nfs/dbraw/zinc/95/25/40/344952540.db2.gz WTKKESWPGUMYCY-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H]1C 300024683 344962800 /nfs/dbraw/zinc/96/28/00/344962800.db2.gz NOSLWXAVDKWRHR-HLTSFMKQSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@@H](C)C[NH3+])C1 300023918 344962894 /nfs/dbraw/zinc/96/28/94/344962894.db2.gz JBWSRENDJGCQQW-ZRUFSTJUSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H]1C 300024684 344962955 /nfs/dbraw/zinc/96/29/55/344962955.db2.gz NOSLWXAVDKWRHR-IWSPIJDZSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1C[C@@H](C)C[C@H]([NH2+][C@H](C)C[NH3+])C1 300023917 344962962 /nfs/dbraw/zinc/96/29/62/344962962.db2.gz JBWSRENDJGCQQW-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP CCSCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300047464 344966232 /nfs/dbraw/zinc/96/62/32/344966232.db2.gz DWYZUCUHNRXFCK-RKDXNWHRSA-N 2 1 188.340 1.019 20 0 ADADMP CCSCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 300047464 344966228 /nfs/dbraw/zinc/96/62/28/344966228.db2.gz DWYZUCUHNRXFCK-RKDXNWHRSA-N 2 1 188.340 1.019 20 0 ADADMP CCCC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300048131 344966299 /nfs/dbraw/zinc/96/62/99/344966299.db2.gz HTMOSHHXOXADSI-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[N@@H+](CC2CCCCC2)C[C@H]1[NH3+] 300049927 344967802 /nfs/dbraw/zinc/96/78/02/344967802.db2.gz VMRDEZNODQHRFU-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1[NH3+] 300049997 344968003 /nfs/dbraw/zinc/96/80/03/344968003.db2.gz WFNIMBXNGLQLBR-VHSXEESVSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300057196 344968560 /nfs/dbraw/zinc/96/85/60/344968560.db2.gz NLBSYLKLAXIHQJ-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 300055123 344968675 /nfs/dbraw/zinc/96/86/75/344968675.db2.gz BJSQBPBKGZQGGZ-MNOVXSKESA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 300055122 344968753 /nfs/dbraw/zinc/96/87/53/344968753.db2.gz BJSQBPBKGZQGGZ-GHMZBOCLSA-N 2 1 184.327 1.715 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 300057197 344968834 /nfs/dbraw/zinc/96/88/34/344968834.db2.gz NLBSYLKLAXIHQJ-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP CCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 300333807 344974079 /nfs/dbraw/zinc/97/40/79/344974079.db2.gz UBGQUZMTGWWTGN-VHSXEESVSA-N 2 1 168.284 1.080 20 0 ADADMP CCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 300333807 344974081 /nfs/dbraw/zinc/97/40/81/344974081.db2.gz UBGQUZMTGWWTGN-VHSXEESVSA-N 2 1 168.284 1.080 20 0 ADADMP CCC[N@@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 300333806 344974198 /nfs/dbraw/zinc/97/41/98/344974198.db2.gz UBGQUZMTGWWTGN-NXEZZACHSA-N 2 1 168.284 1.080 20 0 ADADMP CCC[N@H+]1CCC[C@@H]2C[NH2+]C[C@H]21 300333806 344974201 /nfs/dbraw/zinc/97/42/01/344974201.db2.gz UBGQUZMTGWWTGN-NXEZZACHSA-N 2 1 168.284 1.080 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352346 344975950 /nfs/dbraw/zinc/97/59/50/344975950.db2.gz KRYROYDFQPZTEF-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1C[N@@H+](CCC2CCCC2)C[C@H]1[NH3+] 300744051 344986360 /nfs/dbraw/zinc/98/63/60/344986360.db2.gz JAFNMTLRISOJBA-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1[NH3+] 300744053 344986390 /nfs/dbraw/zinc/98/63/90/344986390.db2.gz JAFNMTLRISOJBA-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP CSC1CC[NH+](C[C@@H](C)[NH3+])CC1 300758332 344990618 /nfs/dbraw/zinc/99/06/18/344990618.db2.gz LDCDAQJUQDMZFG-MRVPVSSYSA-N 2 1 188.340 1.161 20 0 ADADMP CSC1CC[NH+](C[C@H](C)[NH3+])CC1 300758335 344990671 /nfs/dbraw/zinc/99/06/71/344990671.db2.gz LDCDAQJUQDMZFG-QMMMGPOBSA-N 2 1 188.340 1.161 20 0 ADADMP CSCCC[N@H+](C)CC(C)(C)[NH3+] 300762437 344992028 /nfs/dbraw/zinc/99/20/28/344992028.db2.gz NAJHERPBGTUOCZ-UHFFFAOYSA-N 2 1 190.356 1.409 20 0 ADADMP CSCCC[N@@H+](C)CC(C)(C)[NH3+] 300762437 344992031 /nfs/dbraw/zinc/99/20/31/344992031.db2.gz NAJHERPBGTUOCZ-UHFFFAOYSA-N 2 1 190.356 1.409 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CC1 306148357 345036724 /nfs/dbraw/zinc/03/67/24/345036724.db2.gz BAYDTNJZXXFJCX-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CC1 306148358 345036793 /nfs/dbraw/zinc/03/67/93/345036793.db2.gz BAYDTNJZXXFJCX-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H](N)C[N@H+]1CCC[C@H]1C1CCC1 306148352 345036822 /nfs/dbraw/zinc/03/68/22/345036822.db2.gz BADCVWFTQYVDSO-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H](N)C[N@H+]1CCC[C@@H]1C1CCC1 306148349 345036883 /nfs/dbraw/zinc/03/68/83/345036883.db2.gz BADCVWFTQYVDSO-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CC[NH2+]C1 306179669 345071411 /nfs/dbraw/zinc/07/14/11/345071411.db2.gz WGYHAOBGZILZCV-AXFHLTTASA-N 2 1 182.311 1.469 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 306187729 345077767 /nfs/dbraw/zinc/07/77/67/345077767.db2.gz DTWGCYNGFPAJNL-VHSXEESVSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 306187730 345077778 /nfs/dbraw/zinc/07/77/78/345077778.db2.gz DTWGCYNGFPAJNL-ZJUUUORDSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 306187728 345077894 /nfs/dbraw/zinc/07/78/94/345077894.db2.gz DTWGCYNGFPAJNL-UWVGGRQHSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 306187727 345077986 /nfs/dbraw/zinc/07/79/86/345077986.db2.gz DTWGCYNGFPAJNL-NXEZZACHSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1C[C@H]([NH2+]CC[NH3+])c2ccccc21 306191485 345081299 /nfs/dbraw/zinc/08/12/99/345081299.db2.gz OYXXMWNWDGGAPW-CABZTGNLSA-N 2 1 190.290 1.783 20 0 ADADMP C[C@H]1C[C@@H]([NH2+]CC[NH3+])c2ccccc21 306191486 345081415 /nfs/dbraw/zinc/08/14/15/345081415.db2.gz OYXXMWNWDGGAPW-JOYOIKCWSA-N 2 1 190.290 1.783 20 0 ADADMP C[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 306195376 345084986 /nfs/dbraw/zinc/08/49/86/345084986.db2.gz JALJBCFIYIASHF-NSHDSACASA-N 2 1 196.338 1.859 20 0 ADADMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@@H+]2CCF 306203934 345093404 /nfs/dbraw/zinc/09/34/04/345093404.db2.gz PWLLPHOFHQMCFJ-PBINXNQUSA-N 2 1 186.274 1.300 20 0 ADADMP [NH3+]C1C[C@@H]2CCC[C@H](C1)[N@H+]2CCF 306203934 345093405 /nfs/dbraw/zinc/09/34/05/345093405.db2.gz PWLLPHOFHQMCFJ-PBINXNQUSA-N 2 1 186.274 1.300 20 0 ADADMP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CC1(C)C 306233089 345126589 /nfs/dbraw/zinc/12/65/89/345126589.db2.gz LBIOTQXLYVWVKS-MRVPVSSYSA-N 2 1 170.300 1.454 20 0 ADADMP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CC1(C)C 306233089 345126591 /nfs/dbraw/zinc/12/65/91/345126591.db2.gz LBIOTQXLYVWVKS-MRVPVSSYSA-N 2 1 170.300 1.454 20 0 ADADMP C[N@H+](CC(C)(C)[NH3+])[C@H]1CC1(C)C 306233090 345126652 /nfs/dbraw/zinc/12/66/52/345126652.db2.gz LBIOTQXLYVWVKS-QMMMGPOBSA-N 2 1 170.300 1.454 20 0 ADADMP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CC1(C)C 306233090 345126654 /nfs/dbraw/zinc/12/66/54/345126654.db2.gz LBIOTQXLYVWVKS-QMMMGPOBSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 306289502 345171493 /nfs/dbraw/zinc/17/14/93/345171493.db2.gz NXBUCGHBVIUERD-NSHDSACASA-N 2 1 184.327 1.811 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 306289501 345171712 /nfs/dbraw/zinc/17/17/12/345171712.db2.gz NXBUCGHBVIUERD-LLVKDONJSA-N 2 1 184.327 1.811 20 0 ADADMP CC1CC([NH2+]CC2=CC[N@@H+](C)CC2)C1 306314756 345193705 /nfs/dbraw/zinc/19/37/05/345193705.db2.gz PXTCZLCLLVCPJV-UHFFFAOYSA-N 2 1 194.322 1.636 20 0 ADADMP C[NH+]1CCC([NH2+]C2(C3CC3)CC2)CC1 306315441 345194033 /nfs/dbraw/zinc/19/40/33/345194033.db2.gz PJOAQCDUIXJIFT-UHFFFAOYSA-N 2 1 194.322 1.613 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC2(CCCCC2)C1 306344766 345218670 /nfs/dbraw/zinc/21/86/70/345218670.db2.gz OMQVNJLSANXEGD-NSHDSACASA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 306375240 345242529 /nfs/dbraw/zinc/24/25/29/345242529.db2.gz WYCSYDQQEBZJJO-KXUCPTDWSA-N 2 1 170.300 1.371 20 0 ADADMP CC(C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 306375241 345242592 /nfs/dbraw/zinc/24/25/92/345242592.db2.gz WYCSYDQQEBZJJO-LPEHRKFASA-N 2 1 170.300 1.371 20 0 ADADMP CC(C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 306375239 345242763 /nfs/dbraw/zinc/24/27/63/345242763.db2.gz WYCSYDQQEBZJJO-IVZWLZJFSA-N 2 1 170.300 1.371 20 0 ADADMP CC(C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 306375242 345242834 /nfs/dbraw/zinc/24/28/34/345242834.db2.gz WYCSYDQQEBZJJO-OPRDCNLKSA-N 2 1 170.300 1.371 20 0 ADADMP C1C[C@@H]2CC[N@@H+](CC3CC3)C[C@H]2[NH2+]1 306459163 345318499 /nfs/dbraw/zinc/31/84/99/345318499.db2.gz BQWFBOBXLFRUOR-GHMZBOCLSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@@H]2CC[N@H+](CC3CC3)C[C@H]2[NH2+]1 306459163 345318501 /nfs/dbraw/zinc/31/85/01/345318501.db2.gz BQWFBOBXLFRUOR-GHMZBOCLSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]2[NH2+]1 306459166 345318611 /nfs/dbraw/zinc/31/86/11/345318611.db2.gz BQWFBOBXLFRUOR-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@H]2CC[N@H+](CC3CC3)C[C@H]2[NH2+]1 306459166 345318615 /nfs/dbraw/zinc/31/86/15/345318615.db2.gz BQWFBOBXLFRUOR-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@@H]2CC[N@@H+](CC3CC3)C[C@@H]2[NH2+]1 306459164 345318696 /nfs/dbraw/zinc/31/86/96/345318696.db2.gz BQWFBOBXLFRUOR-MNOVXSKESA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@@H]2CC[N@H+](CC3CC3)C[C@@H]2[NH2+]1 306459164 345318700 /nfs/dbraw/zinc/31/87/00/345318700.db2.gz BQWFBOBXLFRUOR-MNOVXSKESA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@H]2CC[N@@H+](CC3CC3)C[C@@H]2[NH2+]1 306459165 345318834 /nfs/dbraw/zinc/31/88/34/345318834.db2.gz BQWFBOBXLFRUOR-QWRGUYRKSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@H]2CC[N@H+](CC3CC3)C[C@@H]2[NH2+]1 306459165 345318837 /nfs/dbraw/zinc/31/88/37/345318837.db2.gz BQWFBOBXLFRUOR-QWRGUYRKSA-N 2 1 180.295 1.080 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1CC1CC[NH2+]CC1 306531474 345403145 /nfs/dbraw/zinc/40/31/45/345403145.db2.gz APKDEUDEZSVUCQ-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C 306531476 345403240 /nfs/dbraw/zinc/40/32/40/345403240.db2.gz APKDEUDEZSVUCQ-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP CCc1nc(N[C@@H](C)C[NH3+])cc(C)[nH+]1 306532925 345405269 /nfs/dbraw/zinc/40/52/69/345405269.db2.gz HAOZLXOYVHDIDO-QMMMGPOBSA-N 2 1 194.282 1.107 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@@H]1C 306558260 345433772 /nfs/dbraw/zinc/43/37/72/345433772.db2.gz OYMDRZAWKPWTPH-VGMNWLOBSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H]1C 306558258 345433991 /nfs/dbraw/zinc/43/39/91/345433991.db2.gz OYMDRZAWKPWTPH-CIUDSAMLSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H]1C 306558261 345434154 /nfs/dbraw/zinc/43/41/54/345434154.db2.gz OYMDRZAWKPWTPH-XHNCKOQMSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H]1C 306558259 345434183 /nfs/dbraw/zinc/43/41/83/345434183.db2.gz OYMDRZAWKPWTPH-HRDYMLBCSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC2(CCC2)C1 306566123 345442332 /nfs/dbraw/zinc/44/23/32/345442332.db2.gz YKNWNDRNNOGVJJ-VIFPVBQESA-N 2 1 168.284 1.210 20 0 ADADMP CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 306591800 345469456 /nfs/dbraw/zinc/46/94/56/345469456.db2.gz QJUWNFXCDIVCGW-VHSXEESVSA-N 2 1 180.295 1.080 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)CC1 306591800 345469458 /nfs/dbraw/zinc/46/94/58/345469458.db2.gz QJUWNFXCDIVCGW-VHSXEESVSA-N 2 1 180.295 1.080 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC1(C)C 306615930 345489322 /nfs/dbraw/zinc/48/93/22/345489322.db2.gz BSQPIXCECDZKKI-HTQZYQBOSA-N 2 1 156.273 1.112 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H](N)C1 306624865 345496512 /nfs/dbraw/zinc/49/65/12/345496512.db2.gz FZMSADLAGMZUKX-UTLUCORTSA-N 2 1 168.284 1.066 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 306624865 345496515 /nfs/dbraw/zinc/49/65/15/345496515.db2.gz FZMSADLAGMZUKX-UTLUCORTSA-N 2 1 168.284 1.066 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H](N)C1 306624863 345496543 /nfs/dbraw/zinc/49/65/43/345496543.db2.gz FZMSADLAGMZUKX-KXUCPTDWSA-N 2 1 168.284 1.066 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 306624863 345496547 /nfs/dbraw/zinc/49/65/47/345496547.db2.gz FZMSADLAGMZUKX-KXUCPTDWSA-N 2 1 168.284 1.066 20 0 ADADMP FCC[N@H+]1CCC2(CC[NH2+]CC2)C1 306706820 345560768 /nfs/dbraw/zinc/56/07/68/345560768.db2.gz KRQRSSUUCALVTQ-UHFFFAOYSA-N 2 1 186.274 1.031 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 306708645 345562362 /nfs/dbraw/zinc/56/23/62/345562362.db2.gz PBWOQHLKWNAKRH-BDAKNGLRSA-N 2 1 168.284 1.127 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 306708813 345562367 /nfs/dbraw/zinc/56/23/67/345562367.db2.gz PBWOQHLKWNAKRH-RKDXNWHRSA-N 2 1 168.284 1.127 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 306708646 345562409 /nfs/dbraw/zinc/56/24/09/345562409.db2.gz PBWOQHLKWNAKRH-DTWKUNHWSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 306713699 345565652 /nfs/dbraw/zinc/56/56/52/345565652.db2.gz CYZLLORBDLRAGD-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CC[NH2+]C1 306713700 345565722 /nfs/dbraw/zinc/56/57/22/345565722.db2.gz CYZLLORBDLRAGD-VWYCJHECSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 306713694 345565783 /nfs/dbraw/zinc/56/57/83/345565783.db2.gz CYZLLORBDLRAGD-GMTAPVOTSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)[C@@H]1C 306713696 345565886 /nfs/dbraw/zinc/56/58/86/345565886.db2.gz CYZLLORBDLRAGD-MXWKQRLJSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1CCC[NH3+] 306733599 345581410 /nfs/dbraw/zinc/58/14/10/345581410.db2.gz IIDBZXYLTYHQQX-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@@H]1C 306738127 345584672 /nfs/dbraw/zinc/58/46/72/345584672.db2.gz IIDBZXYLTYHQQX-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])[C@H]1C 306738131 345584932 /nfs/dbraw/zinc/58/49/32/345584932.db2.gz IIDBZXYLTYHQQX-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306784904 345612712 /nfs/dbraw/zinc/61/27/12/345612712.db2.gz MUBHXLIAWXXFKS-GARJFASQSA-N 2 1 180.295 1.232 20 0 ADADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CC1(C)C 306793998 345619026 /nfs/dbraw/zinc/61/90/26/345619026.db2.gz HEAJWQNXRWBSCB-ZYHUDNBSSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CC1(C)C 306793843 345619292 /nfs/dbraw/zinc/61/92/92/345619292.db2.gz HEAJWQNXRWBSCB-JQWIXIFHSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CC1(C)C 306793842 345619328 /nfs/dbraw/zinc/61/93/28/345619328.db2.gz HEAJWQNXRWBSCB-CMPLNLGQSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC1(C)C 306793997 345619481 /nfs/dbraw/zinc/61/94/81/345619481.db2.gz HEAJWQNXRWBSCB-PWSUYJOCSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCC1 306848102 345655227 /nfs/dbraw/zinc/65/52/27/345655227.db2.gz MDGPIXQHXSWPGW-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCC1 306848103 345655603 /nfs/dbraw/zinc/65/56/03/345655603.db2.gz MDGPIXQHXSWPGW-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[N@@H+](CC(C)(C)[NH3+])C1CC(C)(C)C1 306855268 345659721 /nfs/dbraw/zinc/65/97/21/345659721.db2.gz VRHMDPHWYCKDII-UHFFFAOYSA-N 2 1 184.327 1.844 20 0 ADADMP CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 306918104 345697389 /nfs/dbraw/zinc/69/73/89/345697389.db2.gz ZBFGYOJBZDLNSI-BDAKNGLRSA-N 2 1 156.273 1.127 20 0 ADADMP CCC[NH2+][C@H]1CCC[NH2+][C@H]1C 306918106 345697429 /nfs/dbraw/zinc/69/74/29/345697429.db2.gz ZBFGYOJBZDLNSI-IUCAKERBSA-N 2 1 156.273 1.127 20 0 ADADMP CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 306918105 345697438 /nfs/dbraw/zinc/69/74/38/345697438.db2.gz ZBFGYOJBZDLNSI-DTWKUNHWSA-N 2 1 156.273 1.127 20 0 ADADMP CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 306918107 345697490 /nfs/dbraw/zinc/69/74/90/345697490.db2.gz ZBFGYOJBZDLNSI-RKDXNWHRSA-N 2 1 156.273 1.127 20 0 ADADMP CC[C@]1(C)CC[N@@H+](C[C@H](C)[NH3+])C1 306960485 345719929 /nfs/dbraw/zinc/71/99/29/345719929.db2.gz ZENZXNVPJDXUDC-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@]1(C)CC[N@@H+](C[C@@H](C)[NH3+])C1 306960483 345720012 /nfs/dbraw/zinc/72/00/12/345720012.db2.gz ZENZXNVPJDXUDC-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@@]1(C)CC[N@@H+](C[C@H](C)[NH3+])C1 306960484 345720064 /nfs/dbraw/zinc/72/00/64/345720064.db2.gz ZENZXNVPJDXUDC-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@@]1(C)CC[N@@H+](C[C@@H](C)[NH3+])C1 306960486 345720193 /nfs/dbraw/zinc/72/01/93/345720193.db2.gz ZENZXNVPJDXUDC-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP [NH3+]CCC[N@H+]1CCC2(CCCC2)C1 306980079 345731715 /nfs/dbraw/zinc/73/17/15/345731715.db2.gz FFDHDCMYZPYBMZ-UHFFFAOYSA-N 2 1 182.311 1.601 20 0 ADADMP CC[C@@]1(C)CC[N@@H+](CC(C)(C)N)C1 306981224 345732372 /nfs/dbraw/zinc/73/23/72/345732372.db2.gz HOFZGTZCVLHDEY-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@@]1(C)CCN(CC(C)(C)[NH3+])C1 306981224 345732377 /nfs/dbraw/zinc/73/23/77/345732377.db2.gz HOFZGTZCVLHDEY-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@]1(C)CC[N@@H+](CC(C)(C)N)C1 306981223 345732517 /nfs/dbraw/zinc/73/25/17/345732517.db2.gz HOFZGTZCVLHDEY-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP CC[C@]1(C)CCN(CC(C)(C)[NH3+])C1 306981223 345732519 /nfs/dbraw/zinc/73/25/19/345732519.db2.gz HOFZGTZCVLHDEY-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@H+]1CCC[C@H]1C[C@H](C)[NH3+] 306987339 345735852 /nfs/dbraw/zinc/73/58/52/345735852.db2.gz YSMUEUXVPJLRCY-IUCAKERBSA-N 2 1 156.273 1.208 20 0 ADADMP CC[N@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 306987337 345735864 /nfs/dbraw/zinc/73/58/64/345735864.db2.gz YSMUEUXVPJLRCY-BDAKNGLRSA-N 2 1 156.273 1.208 20 0 ADADMP CC[N@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 306987340 345735878 /nfs/dbraw/zinc/73/58/78/345735878.db2.gz YSMUEUXVPJLRCY-RKDXNWHRSA-N 2 1 156.273 1.208 20 0 ADADMP CC[N@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 306987338 345736124 /nfs/dbraw/zinc/73/61/24/345736124.db2.gz YSMUEUXVPJLRCY-DTWKUNHWSA-N 2 1 156.273 1.208 20 0 ADADMP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@H]3C[C@H]3C2)C1 306999990 345743223 /nfs/dbraw/zinc/74/32/23/345743223.db2.gz BPHHIQVJXSWLMV-UKKRHICBSA-N 2 1 180.295 1.066 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCC1 307004168 345746205 /nfs/dbraw/zinc/74/62/05/345746205.db2.gz JJRFJFTXYSRYCR-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCC1 307004157 345746348 /nfs/dbraw/zinc/74/63/48/345746348.db2.gz JJRFJFTXYSRYCR-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC1 307037203 345769930 /nfs/dbraw/zinc/76/99/30/345769930.db2.gz OVXNAVDMLYZBHP-SCZZXKLOSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC1 307037203 345769932 /nfs/dbraw/zinc/76/99/32/345769932.db2.gz OVXNAVDMLYZBHP-SCZZXKLOSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC1 307037202 345770054 /nfs/dbraw/zinc/77/00/54/345770054.db2.gz OVXNAVDMLYZBHP-PSASIEDQSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC1 307037202 345770057 /nfs/dbraw/zinc/77/00/57/345770057.db2.gz OVXNAVDMLYZBHP-PSASIEDQSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCC1 307037204 345770078 /nfs/dbraw/zinc/77/00/78/345770078.db2.gz OVXNAVDMLYZBHP-WCBMZHEXSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCC1 307037204 345770080 /nfs/dbraw/zinc/77/00/80/345770080.db2.gz OVXNAVDMLYZBHP-WCBMZHEXSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCC1 307037205 345770107 /nfs/dbraw/zinc/77/01/07/345770107.db2.gz OVXNAVDMLYZBHP-WPRPVWTQSA-N 2 1 168.284 1.208 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCC1 307037205 345770108 /nfs/dbraw/zinc/77/01/08/345770108.db2.gz OVXNAVDMLYZBHP-WPRPVWTQSA-N 2 1 168.284 1.208 20 0 ADADMP Cc1[nH+]cn(CC[C@H]2CC[NH2+]C2)c1C 307068724 345791010 /nfs/dbraw/zinc/79/10/10/345791010.db2.gz XMRAGVRKAPUSFK-LLVKDONJSA-N 2 1 193.294 1.500 20 0 ADADMP Cc1[nH+]cn(CC[C@@H]2CC[NH2+]C2)c1C 307068725 345791243 /nfs/dbraw/zinc/79/12/43/345791243.db2.gz XMRAGVRKAPUSFK-NSHDSACASA-N 2 1 193.294 1.500 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307087756 345802915 /nfs/dbraw/zinc/80/29/15/345802915.db2.gz SBZMRTXJTKBYCI-LPEHRKFASA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307087755 345802828 /nfs/dbraw/zinc/80/28/28/345802828.db2.gz SBZMRTXJTKBYCI-IVZWLZJFSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])C[C@H]1C 307087755 345802832 /nfs/dbraw/zinc/80/28/32/345802832.db2.gz SBZMRTXJTKBYCI-IVZWLZJFSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307087756 345802917 /nfs/dbraw/zinc/80/29/17/345802917.db2.gz SBZMRTXJTKBYCI-LPEHRKFASA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307087754 345803098 /nfs/dbraw/zinc/80/30/98/345803098.db2.gz SBZMRTXJTKBYCI-GUBZILKMSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307087754 345803099 /nfs/dbraw/zinc/80/30/99/345803099.db2.gz SBZMRTXJTKBYCI-GUBZILKMSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 307087753 345803131 /nfs/dbraw/zinc/80/31/31/345803131.db2.gz SBZMRTXJTKBYCI-AEJSXWLSSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 307087753 345803133 /nfs/dbraw/zinc/80/31/33/345803133.db2.gz SBZMRTXJTKBYCI-AEJSXWLSSA-N 2 1 170.300 1.454 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CC1(C)C 307108528 345814475 /nfs/dbraw/zinc/81/44/75/345814475.db2.gz GIYVAELGDMNCGI-LLVKDONJSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307144585 345838224 /nfs/dbraw/zinc/83/82/24/345838224.db2.gz FWZRQFSOOVVADE-QWRGUYRKSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 307151788 345844117 /nfs/dbraw/zinc/84/41/17/345844117.db2.gz WKYJYUACMLDELD-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+]C1CC[NH+](C)CC1 307151785 345844197 /nfs/dbraw/zinc/84/41/97/345844197.db2.gz WKYJYUACMLDELD-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]C1CC[NH+](C)CC1 307151787 345844638 /nfs/dbraw/zinc/84/46/38/345844638.db2.gz WKYJYUACMLDELD-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCCCC1 307158926 345851047 /nfs/dbraw/zinc/85/10/47/345851047.db2.gz TZCUWYDYADAAIM-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1C[C@H]1C 307210685 345893989 /nfs/dbraw/zinc/89/39/89/345893989.db2.gz MSQIVGFWYUWTKW-LMLFDSFASA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCC[NH2+][C@@H]1C 307210682 345894169 /nfs/dbraw/zinc/89/41/69/345894169.db2.gz MSQIVGFWYUWTKW-DBIOUOCHSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1C[C@H]1C 307210686 345894185 /nfs/dbraw/zinc/89/41/85/345894185.db2.gz MSQIVGFWYUWTKW-YTWAJWBKSA-N 2 1 182.311 1.373 20 0 ADADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CC1(C)C 307221480 345900720 /nfs/dbraw/zinc/90/07/20/345900720.db2.gz IWBSXFLGLMHTPY-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C 307221483 345900770 /nfs/dbraw/zinc/90/07/70/345900770.db2.gz IWBSXFLGLMHTPY-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CC1(C)C 307221481 345900988 /nfs/dbraw/zinc/90/09/88/345900988.db2.gz IWBSXFLGLMHTPY-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CC1(C)C 307221479 345901183 /nfs/dbraw/zinc/90/11/83/345901183.db2.gz IWBSXFLGLMHTPY-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[C@@H]([N@@H+](C)CC(C)(C)N)C1 307224967 345903594 /nfs/dbraw/zinc/90/35/94/345903594.db2.gz TVZHKHHGGSOSTG-VHSXEESVSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1CC[C@@H](N(C)CC(C)(C)[NH3+])C1 307224967 345903596 /nfs/dbraw/zinc/90/35/96/345903596.db2.gz TVZHKHHGGSOSTG-VHSXEESVSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1CC[C@H]([N@@H+](C)CC(C)(C)N)C1 307224966 345903608 /nfs/dbraw/zinc/90/36/08/345903608.db2.gz TVZHKHHGGSOSTG-UWVGGRQHSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1CC[C@H](N(C)CC(C)(C)[NH3+])C1 307224966 345903609 /nfs/dbraw/zinc/90/36/09/345903609.db2.gz TVZHKHHGGSOSTG-UWVGGRQHSA-N 2 1 184.327 1.844 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC2(CCCC2)C1 307232384 345909753 /nfs/dbraw/zinc/90/97/53/345909753.db2.gz CVXFKZKBLKRDKM-UHFFFAOYSA-N 2 1 196.338 1.990 20 0 ADADMP C1CC(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 307243680 345917826 /nfs/dbraw/zinc/91/78/26/345917826.db2.gz KKTWNMQKRDBQDW-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]32)C1 307243680 345917828 /nfs/dbraw/zinc/91/78/28/345917828.db2.gz KKTWNMQKRDBQDW-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C 307258649 345929510 /nfs/dbraw/zinc/92/95/10/345929510.db2.gz CHIGFGYUUWQJIS-UWVGGRQHSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@H]1[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C 307258650 345929633 /nfs/dbraw/zinc/92/96/33/345929633.db2.gz CHIGFGYUUWQJIS-VHSXEESVSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C1CC1 307261285 345931477 /nfs/dbraw/zinc/93/14/77/345931477.db2.gz PEFKTOPCZCCRRN-WPRPVWTQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[N@H+](C)C1CC1 307261283 345931302 /nfs/dbraw/zinc/93/13/02/345931302.db2.gz PEFKTOPCZCCRRN-SCZZXKLOSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[N@@H+](C)C1CC1 307261283 345931307 /nfs/dbraw/zinc/93/13/07/345931307.db2.gz PEFKTOPCZCCRRN-SCZZXKLOSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[N@H+](C)C1CC1 307261285 345931475 /nfs/dbraw/zinc/93/14/75/345931475.db2.gz PEFKTOPCZCCRRN-WPRPVWTQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[N@H+](C)C1CC1 307261282 345931488 /nfs/dbraw/zinc/93/14/88/345931488.db2.gz PEFKTOPCZCCRRN-PSASIEDQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[N@@H+](C)C1CC1 307261282 345931491 /nfs/dbraw/zinc/93/14/91/345931491.db2.gz PEFKTOPCZCCRRN-PSASIEDQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[N@H+](C)C1CC1 307261284 345931729 /nfs/dbraw/zinc/93/17/29/345931729.db2.gz PEFKTOPCZCCRRN-WCBMZHEXSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[N@@H+](C)C1CC1 307261284 345931730 /nfs/dbraw/zinc/93/17/30/345931730.db2.gz PEFKTOPCZCCRRN-WCBMZHEXSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@H]([NH2+]C1CC1)[C@@H]1CCCC[NH2+]1 307319887 345968654 /nfs/dbraw/zinc/96/86/54/345968654.db2.gz UDGJBZBWHACTES-WPRPVWTQSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@H]([NH2+]C1CC1)[C@H]1CCCC[NH2+]1 307319886 345968949 /nfs/dbraw/zinc/96/89/49/345968949.db2.gz UDGJBZBWHACTES-WCBMZHEXSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1CCC2(CCCC2)C1 307348472 345986565 /nfs/dbraw/zinc/98/65/65/345986565.db2.gz NVACKQBYQBLPCU-JTQLQIEISA-N 2 1 182.311 1.600 20 0 ADADMP C[C@@H]([NH3+])C[N@H+]1CCC2(CCCC2)C1 307369253 345999660 /nfs/dbraw/zinc/99/96/60/345999660.db2.gz NVACKQBYQBLPCU-SNVBAGLBSA-N 2 1 182.311 1.600 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC1 307415894 346029348 /nfs/dbraw/zinc/02/93/48/346029348.db2.gz NDJOVCFKDMDYMW-PSASIEDQSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC1 307415895 346029369 /nfs/dbraw/zinc/02/93/69/346029369.db2.gz NDJOVCFKDMDYMW-SCZZXKLOSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC1 307415896 346029615 /nfs/dbraw/zinc/02/96/15/346029615.db2.gz NDJOVCFKDMDYMW-WCBMZHEXSA-N 2 1 168.284 1.269 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC1 307415897 346029668 /nfs/dbraw/zinc/02/96/68/346029668.db2.gz NDJOVCFKDMDYMW-WPRPVWTQSA-N 2 1 168.284 1.269 20 0 ADADMP CCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 307418187 346030483 /nfs/dbraw/zinc/03/04/83/346030483.db2.gz GQCQYFOUAJROCF-MRVPVSSYSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 307418189 346030537 /nfs/dbraw/zinc/03/05/37/346030537.db2.gz GQCQYFOUAJROCF-QMMMGPOBSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 307418187 346030482 /nfs/dbraw/zinc/03/04/82/346030482.db2.gz GQCQYFOUAJROCF-MRVPVSSYSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 307418189 346030540 /nfs/dbraw/zinc/03/05/40/346030540.db2.gz GQCQYFOUAJROCF-QMMMGPOBSA-N 2 1 156.273 1.066 20 0 ADADMP CCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 307478481 346064570 /nfs/dbraw/zinc/06/45/70/346064570.db2.gz NKOGXIWOLPQIJQ-BDAKNGLRSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 307478481 346064573 /nfs/dbraw/zinc/06/45/73/346064573.db2.gz NKOGXIWOLPQIJQ-BDAKNGLRSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307478484 346064593 /nfs/dbraw/zinc/06/45/93/346064593.db2.gz NKOGXIWOLPQIJQ-RKDXNWHRSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 307478484 346064595 /nfs/dbraw/zinc/06/45/95/346064595.db2.gz NKOGXIWOLPQIJQ-RKDXNWHRSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307478483 346064623 /nfs/dbraw/zinc/06/46/23/346064623.db2.gz NKOGXIWOLPQIJQ-IUCAKERBSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307478483 346064626 /nfs/dbraw/zinc/06/46/26/346064626.db2.gz NKOGXIWOLPQIJQ-IUCAKERBSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307478482 346064682 /nfs/dbraw/zinc/06/46/82/346064682.db2.gz NKOGXIWOLPQIJQ-DTWKUNHWSA-N 2 1 156.273 1.208 20 0 ADADMP CCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307478482 346064683 /nfs/dbraw/zinc/06/46/83/346064683.db2.gz NKOGXIWOLPQIJQ-DTWKUNHWSA-N 2 1 156.273 1.208 20 0 ADADMP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 307509847 346082066 /nfs/dbraw/zinc/08/20/66/346082066.db2.gz VOTUZCIMUWKLFP-WDEREUQCSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 307509846 346082090 /nfs/dbraw/zinc/08/20/90/346082090.db2.gz VOTUZCIMUWKLFP-QWRGUYRKSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307596734 346136833 /nfs/dbraw/zinc/13/68/33/346136833.db2.gz MUIJKVBAXYNKDN-RKDXNWHRSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@H+]1C[C@H]([NH3+])C[C@H]1C 307596734 346136835 /nfs/dbraw/zinc/13/68/35/346136835.db2.gz MUIJKVBAXYNKDN-RKDXNWHRSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307596733 346136853 /nfs/dbraw/zinc/13/68/53/346136853.db2.gz MUIJKVBAXYNKDN-IUCAKERBSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307596733 346136855 /nfs/dbraw/zinc/13/68/55/346136855.db2.gz MUIJKVBAXYNKDN-IUCAKERBSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307596732 346136983 /nfs/dbraw/zinc/13/69/83/346136983.db2.gz MUIJKVBAXYNKDN-DTWKUNHWSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307596732 346136986 /nfs/dbraw/zinc/13/69/86/346136986.db2.gz MUIJKVBAXYNKDN-DTWKUNHWSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 307596731 346137062 /nfs/dbraw/zinc/13/70/62/346137062.db2.gz MUIJKVBAXYNKDN-BDAKNGLRSA-N 2 1 156.273 1.064 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]([NH3+])C[C@H]1C 307596731 346137065 /nfs/dbraw/zinc/13/70/65/346137065.db2.gz MUIJKVBAXYNKDN-BDAKNGLRSA-N 2 1 156.273 1.064 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307598970 346138440 /nfs/dbraw/zinc/13/84/40/346138440.db2.gz PMCSCTRHPLHUMT-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H]1C 307599546 346138479 /nfs/dbraw/zinc/13/84/79/346138479.db2.gz RAMLKZWIVNOMJV-IUCAKERBSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 307599544 346138489 /nfs/dbraw/zinc/13/84/89/346138489.db2.gz RAMLKZWIVNOMJV-DTWKUNHWSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1CC(C)(C)[NH3+] 307599542 346138597 /nfs/dbraw/zinc/13/85/97/346138597.db2.gz RAMLKZWIVNOMJV-BDAKNGLRSA-N 2 1 170.300 1.454 20 0 ADADMP CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307617574 346150092 /nfs/dbraw/zinc/15/00/92/346150092.db2.gz WPZGZRSLGLOBAB-GUBZILKMSA-N 2 1 170.300 1.312 20 0 ADADMP CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307617572 346150169 /nfs/dbraw/zinc/15/01/69/346150169.db2.gz WPZGZRSLGLOBAB-AEJSXWLSSA-N 2 1 170.300 1.312 20 0 ADADMP CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307617573 346150251 /nfs/dbraw/zinc/15/02/51/346150251.db2.gz WPZGZRSLGLOBAB-BBBLOLIVSA-N 2 1 170.300 1.312 20 0 ADADMP CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307617575 346150291 /nfs/dbraw/zinc/15/02/91/346150291.db2.gz WPZGZRSLGLOBAB-UTLUCORTSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 307621103 346152421 /nfs/dbraw/zinc/15/24/21/346152421.db2.gz JPQUVZKTJUCIQC-GARJFASQSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)[N@@H+]1CCC[C@@H]1C[C@@H](C)[NH3+] 307630173 346158041 /nfs/dbraw/zinc/15/80/41/346158041.db2.gz YHVBMWHBTZBDBB-NXEZZACHSA-N 2 1 170.300 1.597 20 0 ADADMP CC(C)[N@@H+]1CCC[C@H]1C[C@@H](C)[NH3+] 307630504 346158083 /nfs/dbraw/zinc/15/80/83/346158083.db2.gz YHVBMWHBTZBDBB-ZJUUUORDSA-N 2 1 170.300 1.597 20 0 ADADMP CC(C)[N@@H+]1CCC[C@@H]1C[C@H](C)[NH3+] 307630175 346158237 /nfs/dbraw/zinc/15/82/37/346158237.db2.gz YHVBMWHBTZBDBB-VHSXEESVSA-N 2 1 170.300 1.597 20 0 ADADMP CC(C)[N@@H+]1CCC[C@H]1C[C@H](C)[NH3+] 307630174 346158316 /nfs/dbraw/zinc/15/83/16/346158316.db2.gz YHVBMWHBTZBDBB-UWVGGRQHSA-N 2 1 170.300 1.597 20 0 ADADMP CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 307692581 346187040 /nfs/dbraw/zinc/18/70/40/346187040.db2.gz SOPATRYSXFGMKN-QWRGUYRKSA-N 2 1 182.311 1.328 20 0 ADADMP CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 307692582 346187213 /nfs/dbraw/zinc/18/72/13/346187213.db2.gz SOPATRYSXFGMKN-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 307692579 346187234 /nfs/dbraw/zinc/18/72/34/346187234.db2.gz SOPATRYSXFGMKN-GHMZBOCLSA-N 2 1 182.311 1.328 20 0 ADADMP CCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307692580 346187274 /nfs/dbraw/zinc/18/72/74/346187274.db2.gz SOPATRYSXFGMKN-MNOVXSKESA-N 2 1 182.311 1.328 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 307699895 346191660 /nfs/dbraw/zinc/19/16/60/346191660.db2.gz PIBABXYSKXOWDS-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 307699896 346191570 /nfs/dbraw/zinc/19/15/70/346191570.db2.gz PIBABXYSKXOWDS-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@H]1[NH3+] 307760189 346227395 /nfs/dbraw/zinc/22/73/95/346227395.db2.gz VCCWENMXJISWIK-RKDXNWHRSA-N 2 1 168.284 1.066 20 0 ADADMP CCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 308210763 346270366 /nfs/dbraw/zinc/27/03/66/346270366.db2.gz GJHCPGPLCLOPPN-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 308210762 346270534 /nfs/dbraw/zinc/27/05/34/346270534.db2.gz GJHCPGPLCLOPPN-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC2)[C@@H](C)C1 308579799 346312810 /nfs/dbraw/zinc/31/28/10/346312810.db2.gz GCGOAFXCTXPZBF-JQWIXIFHSA-N 2 1 196.338 1.716 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC2)[C@@H](C)C1 308579798 346313099 /nfs/dbraw/zinc/31/30/99/346313099.db2.gz GCGOAFXCTXPZBF-CMPLNLGQSA-N 2 1 196.338 1.716 20 0 ADADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC2)[C@H](C)C1 308579801 346313156 /nfs/dbraw/zinc/31/31/56/346313156.db2.gz GCGOAFXCTXPZBF-ZYHUDNBSSA-N 2 1 196.338 1.716 20 0 ADADMP Cc1[nH+]ccn1CCC[NH2+]CC1CC1 308714053 346318507 /nfs/dbraw/zinc/31/85/07/346318507.db2.gz AJJIGMYNQVCMLN-UHFFFAOYSA-N 2 1 193.294 1.581 20 0 ADADMP CCC[N@H+]1CC[C@@]2(CCC[NH+](C)C2)C1 334252877 346335367 /nfs/dbraw/zinc/33/53/67/346335367.db2.gz JNXBRPGTPOXSLP-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CC[C@@]2(CCC[N@H+](C)C2)C1 334252877 346335370 /nfs/dbraw/zinc/33/53/70/346335370.db2.gz JNXBRPGTPOXSLP-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CC[C@@]2(CCC[N@@H+](C)C2)C1 334252877 346335374 /nfs/dbraw/zinc/33/53/74/346335374.db2.gz JNXBRPGTPOXSLP-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[N@H+]1CC[C@]2(CCC[NH+](C)C2)C1 334252878 346335397 /nfs/dbraw/zinc/33/53/97/346335397.db2.gz JNXBRPGTPOXSLP-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CC[C@]2(CCC[N@H+](C)C2)C1 334252878 346335399 /nfs/dbraw/zinc/33/53/99/346335399.db2.gz JNXBRPGTPOXSLP-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CC[C@]2(CCC[N@@H+](C)C2)C1 334252878 346335401 /nfs/dbraw/zinc/33/54/01/346335401.db2.gz JNXBRPGTPOXSLP-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CC1 334272803 346336617 /nfs/dbraw/zinc/33/66/17/346336617.db2.gz XXUWXWZACDZGCK-CMPLNLGQSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CC1 334272803 346336621 /nfs/dbraw/zinc/33/66/21/346336621.db2.gz XXUWXWZACDZGCK-CMPLNLGQSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CC1 334272803 346336625 /nfs/dbraw/zinc/33/66/25/346336625.db2.gz XXUWXWZACDZGCK-CMPLNLGQSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CC1 334272803 346336628 /nfs/dbraw/zinc/33/66/28/346336628.db2.gz XXUWXWZACDZGCK-CMPLNLGQSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CC1 334272803 346336632 /nfs/dbraw/zinc/33/66/32/346336632.db2.gz XXUWXWZACDZGCK-CMPLNLGQSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CC1 334272804 346337218 /nfs/dbraw/zinc/33/72/18/346337218.db2.gz XXUWXWZACDZGCK-JQWIXIFHSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CC1 334272804 346337220 /nfs/dbraw/zinc/33/72/20/346337220.db2.gz XXUWXWZACDZGCK-JQWIXIFHSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CC1 334272804 346337226 /nfs/dbraw/zinc/33/72/26/346337226.db2.gz XXUWXWZACDZGCK-JQWIXIFHSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CC1 334272804 346337229 /nfs/dbraw/zinc/33/72/29/346337229.db2.gz XXUWXWZACDZGCK-JQWIXIFHSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CC1 334272804 346337232 /nfs/dbraw/zinc/33/72/32/346337232.db2.gz XXUWXWZACDZGCK-JQWIXIFHSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@H]1CCCC[N@@H+](CCC[NH3+])C1 334833896 346366436 /nfs/dbraw/zinc/36/64/36/346366436.db2.gz VRCYPEGZPXCAAA-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP C[C@H]1CCCCN(C[C@@H](C)[NH3+])C1 334966857 346371713 /nfs/dbraw/zinc/37/17/13/346371713.db2.gz IIEJGZKPDDLIRD-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 334967792 346371734 /nfs/dbraw/zinc/37/17/34/346371734.db2.gz RJDYSMYNHLFADB-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 334967789 346371750 /nfs/dbraw/zinc/37/17/50/346371750.db2.gz RJDYSMYNHLFADB-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 334967788 346371769 /nfs/dbraw/zinc/37/17/69/346371769.db2.gz RJDYSMYNHLFADB-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 334967786 346371811 /nfs/dbraw/zinc/37/18/11/346371811.db2.gz RJDYSMYNHLFADB-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]([NH3+])CN1CCCC[C@@H](C)C1 334966858 346371960 /nfs/dbraw/zinc/37/19/60/346371960.db2.gz IIEJGZKPDDLIRD-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]([NH3+])CN1CCCC[C@H](C)C1 334966856 346372002 /nfs/dbraw/zinc/37/20/02/346372002.db2.gz IIEJGZKPDDLIRD-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 334970858 346372160 /nfs/dbraw/zinc/37/21/60/346372160.db2.gz HZQBQNBGQXQUQK-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 334970855 346372177 /nfs/dbraw/zinc/37/21/77/346372177.db2.gz HZQBQNBGQXQUQK-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 334970857 346372253 /nfs/dbraw/zinc/37/22/53/346372253.db2.gz HZQBQNBGQXQUQK-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 334970856 346372258 /nfs/dbraw/zinc/37/22/58/346372258.db2.gz HZQBQNBGQXQUQK-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 334976151 346372683 /nfs/dbraw/zinc/37/26/83/346372683.db2.gz VMZIIDUINWYHSB-VXGBXAGGSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 334976148 346372724 /nfs/dbraw/zinc/37/27/24/346372724.db2.gz VMZIIDUINWYHSB-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 334976149 346372947 /nfs/dbraw/zinc/37/29/47/346372947.db2.gz VMZIIDUINWYHSB-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC1 335030415 346375139 /nfs/dbraw/zinc/37/51/39/346375139.db2.gz CSAPIAWKCMPTRI-UWVGGRQHSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCC1 335030498 346375217 /nfs/dbraw/zinc/37/52/17/346375217.db2.gz CYCBKVSXIIAZHB-WDEREUQCSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC1 335030429 346375237 /nfs/dbraw/zinc/37/52/37/346375237.db2.gz CSAPIAWKCMPTRI-VHSXEESVSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC1 335034131 346375336 /nfs/dbraw/zinc/37/53/36/346375336.db2.gz INIIWEREAAYIJT-ONGXEEELSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCC1 335030496 346375407 /nfs/dbraw/zinc/37/54/07/346375407.db2.gz CYCBKVSXIIAZHB-QWRGUYRKSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC1 335034128 346375652 /nfs/dbraw/zinc/37/56/52/346375652.db2.gz INIIWEREAAYIJT-GXSJLCMTSA-N 2 1 182.311 1.374 20 0 ADADMP CCC1CC([NH2+][C@@H]2CC[NH2+]C2)C1 335056220 346376009 /nfs/dbraw/zinc/37/60/09/346376009.db2.gz ANLACWRFULOBDU-HWOCKDDLSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC1 335043080 346376095 /nfs/dbraw/zinc/37/60/95/346376095.db2.gz MRHNOYMOYIWVNB-WPRPVWTQSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC1 335043079 346376427 /nfs/dbraw/zinc/37/64/27/346376427.db2.gz MRHNOYMOYIWVNB-WCBMZHEXSA-N 2 1 168.284 1.127 20 0 ADADMP CCC1CC([NH2+][C@@H]2CCC[NH2+]C2)C1 335182025 346382182 /nfs/dbraw/zinc/38/21/82/346382182.db2.gz QKVXMBDJEJXWGQ-HSOILSAZSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 335295076 346387333 /nfs/dbraw/zinc/38/73/33/346387333.db2.gz LLWBTLYWYXDWQX-RYUDHWBXSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 335295076 346387330 /nfs/dbraw/zinc/38/73/30/346387330.db2.gz LLWBTLYWYXDWQX-RYUDHWBXSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 335295076 346387335 /nfs/dbraw/zinc/38/73/35/346387335.db2.gz LLWBTLYWYXDWQX-RYUDHWBXSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 335295075 346387677 /nfs/dbraw/zinc/38/76/77/346387677.db2.gz LLWBTLYWYXDWQX-NWDGAFQWSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 335295075 346387678 /nfs/dbraw/zinc/38/76/78/346387678.db2.gz LLWBTLYWYXDWQX-NWDGAFQWSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 335295075 346387679 /nfs/dbraw/zinc/38/76/79/346387679.db2.gz LLWBTLYWYXDWQX-NWDGAFQWSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 335306561 346388098 /nfs/dbraw/zinc/38/80/98/346388098.db2.gz FXJVPNQBJJQRPN-NWDGAFQWSA-N 2 1 196.338 1.811 20 0 ADADMP CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 335307130 346388123 /nfs/dbraw/zinc/38/81/23/346388123.db2.gz OUDKXSHCYZYPNK-SNVBAGLBSA-N 2 1 193.294 1.999 20 0 ADADMP CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 335307129 346388168 /nfs/dbraw/zinc/38/81/68/346388168.db2.gz OUDKXSHCYZYPNK-JTQLQIEISA-N 2 1 193.294 1.999 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 335306563 346388238 /nfs/dbraw/zinc/38/82/38/346388238.db2.gz FXJVPNQBJJQRPN-VXGBXAGGSA-N 2 1 196.338 1.811 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 335306562 346388381 /nfs/dbraw/zinc/38/83/81/346388381.db2.gz FXJVPNQBJJQRPN-RYUDHWBXSA-N 2 1 196.338 1.811 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 335306530 346388411 /nfs/dbraw/zinc/38/84/11/346388411.db2.gz CUNFHDXOEWAYDN-SNVBAGLBSA-N 2 1 193.294 1.998 20 0 ADADMP CC(C)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 335306529 346388438 /nfs/dbraw/zinc/38/84/38/346388438.db2.gz CUNFHDXOEWAYDN-JTQLQIEISA-N 2 1 193.294 1.998 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 335306560 346388532 /nfs/dbraw/zinc/38/85/32/346388532.db2.gz FXJVPNQBJJQRPN-NEPJUHHUSA-N 2 1 196.338 1.811 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C 335426501 346396099 /nfs/dbraw/zinc/39/60/99/346396099.db2.gz WYBIMFKFCPGROR-UWVGGRQHSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C 335426502 346396150 /nfs/dbraw/zinc/39/61/50/346396150.db2.gz WYBIMFKFCPGROR-VHSXEESVSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC12CCC2 335468039 346399794 /nfs/dbraw/zinc/39/97/94/346399794.db2.gz ILGJWILGWGQOIT-BDAKNGLRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1CCC2(CC1)CC2 335468118 346399800 /nfs/dbraw/zinc/39/98/00/346399800.db2.gz LHTRWQNKZHXTEK-SECBINFHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCCC12CCC2 335468502 346399886 /nfs/dbraw/zinc/39/98/86/346399886.db2.gz RNZXLKKMUOXTRP-ZJUUUORDSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCCC2 335468282 346400010 /nfs/dbraw/zinc/40/00/10/346400010.db2.gz PHORRIYCUGVFHE-NXEZZACHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCCC12CCC2 335468501 346400093 /nfs/dbraw/zinc/40/00/93/346400093.db2.gz RNZXLKKMUOXTRP-NXEZZACHSA-N 2 1 182.311 1.646 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CCC12CCC2 335468040 346400167 /nfs/dbraw/zinc/40/01/67/346400167.db2.gz ILGJWILGWGQOIT-RKDXNWHRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CCC12CCCC2 335468284 346400189 /nfs/dbraw/zinc/40/01/89/346400189.db2.gz PHORRIYCUGVFHE-ZJUUUORDSA-N 2 1 182.311 1.646 20 0 ADADMP CCC1CC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 335515743 346402302 /nfs/dbraw/zinc/40/23/02/346402302.db2.gz QMOSKKHYNKXHAH-HBIQZDMRSA-N 2 1 196.338 1.763 20 0 ADADMP CCC1CC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 335515748 346402569 /nfs/dbraw/zinc/40/25/69/346402569.db2.gz QMOSKKHYNKXHAH-XKGSQUFQSA-N 2 1 196.338 1.763 20 0 ADADMP CCC1CC([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 335539336 346404076 /nfs/dbraw/zinc/40/40/76/346404076.db2.gz VMXXVIOBFQNORE-HBIQZDMRSA-N 2 1 196.338 1.905 20 0 ADADMP CCC1CC([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 335539337 346404091 /nfs/dbraw/zinc/40/40/91/346404091.db2.gz VMXXVIOBFQNORE-WNYYMSAVSA-N 2 1 196.338 1.905 20 0 ADADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CC3)[C@@H]2C1 335558119 346404929 /nfs/dbraw/zinc/40/49/29/346404929.db2.gz CRBZTLZHZPCURI-NWDGAFQWSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CC3)[C@@H]2C1 335558119 346404932 /nfs/dbraw/zinc/40/49/32/346404932.db2.gz CRBZTLZHZPCURI-NWDGAFQWSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C1 335558119 346404938 /nfs/dbraw/zinc/40/49/38/346404938.db2.gz CRBZTLZHZPCURI-NWDGAFQWSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CC3)[C@@H]2C1 335558121 346405145 /nfs/dbraw/zinc/40/51/45/346405145.db2.gz CRBZTLZHZPCURI-VXGBXAGGSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CC3)[C@H]2C1 335558118 346405035 /nfs/dbraw/zinc/40/50/35/346405035.db2.gz CRBZTLZHZPCURI-NEPJUHHUSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@H+]1CC[C@@H]2CC[NH+](CC3CC3)[C@H]2C1 335558118 346405038 /nfs/dbraw/zinc/40/50/38/346405038.db2.gz CRBZTLZHZPCURI-NEPJUHHUSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CC3)[C@H]2C1 335558118 346405042 /nfs/dbraw/zinc/40/50/42/346405042.db2.gz CRBZTLZHZPCURI-NEPJUHHUSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CC3)[C@H]2C1 335558118 346405046 /nfs/dbraw/zinc/40/50/46/346405046.db2.gz CRBZTLZHZPCURI-NEPJUHHUSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@@H+]1CC[C@@H]2CC[NH+](CC3CC3)[C@@H]2C1 335558121 346405143 /nfs/dbraw/zinc/40/51/43/346405143.db2.gz CRBZTLZHZPCURI-VXGBXAGGSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@@H]2CC[N@H+](CC3CC3)[C@@H]2C1 335558121 346405149 /nfs/dbraw/zinc/40/51/49/346405149.db2.gz CRBZTLZHZPCURI-VXGBXAGGSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@@H]2CC[N@@H+](CC3CC3)[C@@H]2C1 335558121 346405154 /nfs/dbraw/zinc/40/51/54/346405154.db2.gz CRBZTLZHZPCURI-VXGBXAGGSA-N 2 1 194.322 1.422 20 0 ADADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC[NH3+] 335565700 346405176 /nfs/dbraw/zinc/40/51/76/346405176.db2.gz QRMJWKWJKXBDMM-LBPRGKRZSA-N 2 1 190.290 1.531 20 0 ADADMP C[N@@H+]1CC[C@H]2CC[NH+](CC3CC3)[C@H]2C1 335558120 346405228 /nfs/dbraw/zinc/40/52/28/346405228.db2.gz CRBZTLZHZPCURI-RYUDHWBXSA-N 2 1 194.322 1.422 20 0 ADADMP C[N@H+]1CC[C@H]2CC[NH+](CC3CC3)[C@H]2C1 335558120 346405230 /nfs/dbraw/zinc/40/52/30/346405230.db2.gz CRBZTLZHZPCURI-RYUDHWBXSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@H]2CC[N@H+](CC3CC3)[C@H]2C1 335558120 346405235 /nfs/dbraw/zinc/40/52/35/346405235.db2.gz CRBZTLZHZPCURI-RYUDHWBXSA-N 2 1 194.322 1.422 20 0 ADADMP C[NH+]1CC[C@H]2CC[N@@H+](CC3CC3)[C@H]2C1 335558120 346405237 /nfs/dbraw/zinc/40/52/37/346405237.db2.gz CRBZTLZHZPCURI-RYUDHWBXSA-N 2 1 194.322 1.422 20 0 ADADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH3+] 335567505 346405322 /nfs/dbraw/zinc/40/53/22/346405322.db2.gz YQQJAHLTZORIFA-CABZTGNLSA-N 2 1 190.290 1.468 20 0 ADADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH3+] 335567507 346405391 /nfs/dbraw/zinc/40/53/91/346405391.db2.gz YQQJAHLTZORIFA-JOYOIKCWSA-N 2 1 190.290 1.468 20 0 ADADMP Cc1cccc2c1CC[C@H]2[NH2+]CC[NH3+] 335565699 346405401 /nfs/dbraw/zinc/40/54/01/346405401.db2.gz QRMJWKWJKXBDMM-GFCCVEGCSA-N 2 1 190.290 1.531 20 0 ADADMP CCC[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C 335568981 346405856 /nfs/dbraw/zinc/40/58/56/346405856.db2.gz OVGSSDYIABXOOS-FOSCPWQOSA-N 2 1 196.338 1.953 20 0 ADADMP C[N@H+]1CC[C@]2(CC[NH+](CC3CC3)C2)C1 335571602 346405915 /nfs/dbraw/zinc/40/59/15/346405915.db2.gz OJDBYOQWUVTBQU-LBPRGKRZSA-N 2 1 194.322 1.424 20 0 ADADMP C[NH+]1CC[C@]2(CC[N@H+](CC3CC3)C2)C1 335571602 346405916 /nfs/dbraw/zinc/40/59/16/346405916.db2.gz OJDBYOQWUVTBQU-LBPRGKRZSA-N 2 1 194.322 1.424 20 0 ADADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3CC3)C2)C1 335571602 346405919 /nfs/dbraw/zinc/40/59/19/346405919.db2.gz OJDBYOQWUVTBQU-LBPRGKRZSA-N 2 1 194.322 1.424 20 0 ADADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3CC3)C2)C1 335571601 346405929 /nfs/dbraw/zinc/40/59/29/346405929.db2.gz OJDBYOQWUVTBQU-GFCCVEGCSA-N 2 1 194.322 1.424 20 0 ADADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3CC3)C2)C1 335571601 346405932 /nfs/dbraw/zinc/40/59/32/346405932.db2.gz OJDBYOQWUVTBQU-GFCCVEGCSA-N 2 1 194.322 1.424 20 0 ADADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3CC3)C2)C1 335571601 346405933 /nfs/dbraw/zinc/40/59/33/346405933.db2.gz OJDBYOQWUVTBQU-GFCCVEGCSA-N 2 1 194.322 1.424 20 0 ADADMP CCC1([NH2+]C2CC[NH+](C)CC2)CC1 335625108 346409617 /nfs/dbraw/zinc/40/96/17/346409617.db2.gz GLNKJOZPOIMYRY-UHFFFAOYSA-N 2 1 182.311 1.613 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCCC1 335635300 346410692 /nfs/dbraw/zinc/41/06/92/346410692.db2.gz JVYAHERUCHWGCA-CMPLNLGQSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CC2)CC1 336121735 346439528 /nfs/dbraw/zinc/43/95/28/346439528.db2.gz YUKOXMSOJXWCAK-GFCCVEGCSA-N 2 1 196.338 1.813 20 0 ADADMP CCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 336125700 346439603 /nfs/dbraw/zinc/43/96/03/346439603.db2.gz QYDXKGHKOIJJSY-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 336125700 346439607 /nfs/dbraw/zinc/43/96/07/346439607.db2.gz QYDXKGHKOIJJSY-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 336125700 346439609 /nfs/dbraw/zinc/43/96/09/346439609.db2.gz QYDXKGHKOIJJSY-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 336125699 346439693 /nfs/dbraw/zinc/43/96/93/346439693.db2.gz QYDXKGHKOIJJSY-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 336125699 346439695 /nfs/dbraw/zinc/43/96/95/346439695.db2.gz QYDXKGHKOIJJSY-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 336125699 346439698 /nfs/dbraw/zinc/43/96/98/346439698.db2.gz QYDXKGHKOIJJSY-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CC2)CC1 336121736 346439902 /nfs/dbraw/zinc/43/99/02/346439902.db2.gz YUKOXMSOJXWCAK-LBPRGKRZSA-N 2 1 196.338 1.813 20 0 ADADMP CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 336345785 346455967 /nfs/dbraw/zinc/45/59/67/346455967.db2.gz NHSQGXYIVKHBAR-VXGBXAGGSA-N 2 1 196.338 1.813 20 0 ADADMP CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 336345784 346456052 /nfs/dbraw/zinc/45/60/52/346456052.db2.gz NHSQGXYIVKHBAR-RYUDHWBXSA-N 2 1 196.338 1.813 20 0 ADADMP CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 336345783 346456220 /nfs/dbraw/zinc/45/62/20/346456220.db2.gz NHSQGXYIVKHBAR-NWDGAFQWSA-N 2 1 196.338 1.813 20 0 ADADMP CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 336345782 346456248 /nfs/dbraw/zinc/45/62/48/346456248.db2.gz NHSQGXYIVKHBAR-NEPJUHHUSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1CCn2cncc2C1 336400942 346460885 /nfs/dbraw/zinc/46/08/85/346460885.db2.gz ZMFNJJGTHUMJRG-VHSXEESVSA-N 2 1 191.278 1.355 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CCn2cncc2C1 336400941 346461309 /nfs/dbraw/zinc/46/13/09/346461309.db2.gz ZMFNJJGTHUMJRG-UWVGGRQHSA-N 2 1 191.278 1.355 20 0 ADADMP Cc1nccn1CC[N@@H+]1CCC[C@@H]1C 336555487 346473943 /nfs/dbraw/zinc/47/39/43/346473943.db2.gz NKBHJUCLWAJNPT-JTQLQIEISA-N 2 1 193.294 1.676 20 0 ADADMP C[C@H]1CCCC[N@H+]1CCn1ccnc1 336555679 346474027 /nfs/dbraw/zinc/47/40/27/346474027.db2.gz TXKKXHFIPOHVJR-NSHDSACASA-N 2 1 193.294 1.758 20 0 ADADMP Cc1nccn1CC[N@@H+]1CCC[C@H]1C 336555488 346474285 /nfs/dbraw/zinc/47/42/85/346474285.db2.gz NKBHJUCLWAJNPT-SNVBAGLBSA-N 2 1 193.294 1.676 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C 336556142 346475103 /nfs/dbraw/zinc/47/51/03/346475103.db2.gz MTBLKVUEBURJPW-RYUDHWBXSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C 336556142 346475104 /nfs/dbraw/zinc/47/51/04/346475104.db2.gz MTBLKVUEBURJPW-RYUDHWBXSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C 336556142 346475108 /nfs/dbraw/zinc/47/51/08/346475108.db2.gz MTBLKVUEBURJPW-RYUDHWBXSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C 336556141 346475549 /nfs/dbraw/zinc/47/55/49/346475549.db2.gz MTBLKVUEBURJPW-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C 336556141 346475552 /nfs/dbraw/zinc/47/55/52/346475552.db2.gz MTBLKVUEBURJPW-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C 336556141 346475555 /nfs/dbraw/zinc/47/55/55/346475555.db2.gz MTBLKVUEBURJPW-NWDGAFQWSA-N 2 1 196.338 1.955 20 0 ADADMP Cc1cc(C[N@H+](C)CCC[NH3+])ccn1 382082226 346532440 /nfs/dbraw/zinc/53/24/40/346532440.db2.gz QIWKIJQWZCLFIL-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1cc(C[N@@H+](C)CCC[NH3+])ccn1 382082226 346532443 /nfs/dbraw/zinc/53/24/43/346532443.db2.gz QIWKIJQWZCLFIL-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CCSCC[N@@H+](C)C1CC([NH3+])C1 384733496 346538518 /nfs/dbraw/zinc/53/85/18/346538518.db2.gz KEWNJVBAUWTXHJ-UHFFFAOYSA-N 2 1 188.340 1.161 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCF 385213311 346543137 /nfs/dbraw/zinc/54/31/37/346543137.db2.gz XZHAVGBEKVWHFH-UWVGGRQHSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCCF 385213311 346543139 /nfs/dbraw/zinc/54/31/39/346543139.db2.gz XZHAVGBEKVWHFH-UWVGGRQHSA-N 2 1 188.290 1.548 20 0 ADADMP CCCCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 385262946 346543262 /nfs/dbraw/zinc/54/32/62/346543262.db2.gz QQNNYNFHMPIIER-VHSXEESVSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 385262946 346543265 /nfs/dbraw/zinc/54/32/65/346543265.db2.gz QQNNYNFHMPIIER-VHSXEESVSA-N 2 1 170.300 1.598 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCF 385213312 346543279 /nfs/dbraw/zinc/54/32/79/346543279.db2.gz XZHAVGBEKVWHFH-VHSXEESVSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCF 385213312 346543281 /nfs/dbraw/zinc/54/32/81/346543281.db2.gz XZHAVGBEKVWHFH-VHSXEESVSA-N 2 1 188.290 1.548 20 0 ADADMP CCCCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 385262945 346543504 /nfs/dbraw/zinc/54/35/04/346543504.db2.gz QQNNYNFHMPIIER-UWVGGRQHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 385262945 346543505 /nfs/dbraw/zinc/54/35/05/346543505.db2.gz QQNNYNFHMPIIER-UWVGGRQHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 385262944 346543598 /nfs/dbraw/zinc/54/35/98/346543598.db2.gz QQNNYNFHMPIIER-NXEZZACHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 385262944 346543600 /nfs/dbraw/zinc/54/36/00/346543600.db2.gz QQNNYNFHMPIIER-NXEZZACHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 385262947 346543636 /nfs/dbraw/zinc/54/36/36/346543636.db2.gz QQNNYNFHMPIIER-ZJUUUORDSA-N 2 1 170.300 1.598 20 0 ADADMP CCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 385262947 346543638 /nfs/dbraw/zinc/54/36/38/346543638.db2.gz QQNNYNFHMPIIER-ZJUUUORDSA-N 2 1 170.300 1.598 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCCF 385212981 346543746 /nfs/dbraw/zinc/54/37/46/346543746.db2.gz XZHAVGBEKVWHFH-NXEZZACHSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCCF 385212981 346543747 /nfs/dbraw/zinc/54/37/47/346543747.db2.gz XZHAVGBEKVWHFH-NXEZZACHSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCCF 385213313 346543949 /nfs/dbraw/zinc/54/39/49/346543949.db2.gz XZHAVGBEKVWHFH-ZJUUUORDSA-N 2 1 188.290 1.548 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCCF 385213313 346543950 /nfs/dbraw/zinc/54/39/50/346543950.db2.gz XZHAVGBEKVWHFH-ZJUUUORDSA-N 2 1 188.290 1.548 20 0 ADADMP CCSCC[C@H](C)[N@H+](C)CC[NH3+] 393556063 346579078 /nfs/dbraw/zinc/57/90/78/346579078.db2.gz NPAAVOKUIBJTDA-VIFPVBQESA-N 2 1 190.356 1.409 20 0 ADADMP CCSCC[C@@H](C)[N@H+](C)CC[NH3+] 393556062 346578856 /nfs/dbraw/zinc/57/88/56/346578856.db2.gz NPAAVOKUIBJTDA-SECBINFHSA-N 2 1 190.356 1.409 20 0 ADADMP CCSCC[C@@H](C)[N@@H+](C)CC[NH3+] 393556062 346578859 /nfs/dbraw/zinc/57/88/59/346578859.db2.gz NPAAVOKUIBJTDA-SECBINFHSA-N 2 1 190.356 1.409 20 0 ADADMP CCSCC[C@H](C)[N@@H+](C)CC[NH3+] 393556063 346579080 /nfs/dbraw/zinc/57/90/80/346579080.db2.gz NPAAVOKUIBJTDA-VIFPVBQESA-N 2 1 190.356 1.409 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1ccncc1C 393665840 346580548 /nfs/dbraw/zinc/58/05/48/346580548.db2.gz IRFRNRHUTIPYKS-UHFFFAOYSA-N 2 1 193.294 1.089 20 0 ADADMP Cc1cnccc1C[N@@H+](C)CCC[NH3+] 395369554 346586845 /nfs/dbraw/zinc/58/68/45/346586845.db2.gz MNPKVFQNZPYMKJ-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP CSC[C@H]1CCC[N@H+]1CCC[NH3+] 399996501 346599387 /nfs/dbraw/zinc/59/93/87/346599387.db2.gz KGAGBVPWOUFYIK-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP CSC[C@@H]1CCC[N@H+]1CCC[NH3+] 399996503 346599993 /nfs/dbraw/zinc/59/99/93/346599993.db2.gz KGAGBVPWOUFYIK-VIFPVBQESA-N 2 1 188.340 1.163 20 0 ADADMP CSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400350890 346601343 /nfs/dbraw/zinc/60/13/43/346601343.db2.gz JZGXQINCOIJERM-BDAKNGLRSA-N 2 1 188.340 1.080 20 0 ADADMP CSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400350892 346601355 /nfs/dbraw/zinc/60/13/55/346601355.db2.gz JZGXQINCOIJERM-DTWKUNHWSA-N 2 1 188.340 1.080 20 0 ADADMP CSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400350897 346601454 /nfs/dbraw/zinc/60/14/54/346601454.db2.gz JZGXQINCOIJERM-RKDXNWHRSA-N 2 1 188.340 1.080 20 0 ADADMP CSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400350894 346601503 /nfs/dbraw/zinc/60/15/03/346601503.db2.gz JZGXQINCOIJERM-IUCAKERBSA-N 2 1 188.340 1.080 20 0 ADADMP CC[C@@H](C)C[NH2+]CCc1c[nH+]cn1C 401750274 346616587 /nfs/dbraw/zinc/61/65/87/346616587.db2.gz XGANKGSNAOUROF-SNVBAGLBSA-N 2 1 195.310 1.598 20 0 ADADMP CC[C@H](C)C[NH2+]CCc1c[nH+]cn1C 401750272 346616599 /nfs/dbraw/zinc/61/65/99/346616599.db2.gz XGANKGSNAOUROF-JTQLQIEISA-N 2 1 195.310 1.598 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H](CF)C1 409425474 346683366 /nfs/dbraw/zinc/68/33/66/346683366.db2.gz GAQDTWWIDZCOLT-VIFPVBQESA-N 2 1 174.263 1.017 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H](CF)C1 409425473 346683542 /nfs/dbraw/zinc/68/35/42/346683542.db2.gz GAQDTWWIDZCOLT-SECBINFHSA-N 2 1 174.263 1.017 20 0 ADADMP CC[C@H](C)[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536956183 346712974 /nfs/dbraw/zinc/71/29/74/346712974.db2.gz XJEWSZKPMNGISZ-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 536956186 346713020 /nfs/dbraw/zinc/71/30/20/346713020.db2.gz XJEWSZKPMNGISZ-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 575495943 346715902 /nfs/dbraw/zinc/71/59/02/346715902.db2.gz FYKPPFQFRLJAKE-NSHDSACASA-N 2 1 182.311 1.742 20 0 ADADMP [NH3+]C[C@@H]1CC[N@H+]1C1CCCCCC1 575495943 346715905 /nfs/dbraw/zinc/71/59/05/346715905.db2.gz FYKPPFQFRLJAKE-NSHDSACASA-N 2 1 182.311 1.742 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+]1C1CCCCCC1 575495940 346716189 /nfs/dbraw/zinc/71/61/89/346716189.db2.gz FYKPPFQFRLJAKE-LLVKDONJSA-N 2 1 182.311 1.742 20 0 ADADMP [NH3+]C[C@H]1CC[N@H+]1C1CCCCCC1 575495940 346716193 /nfs/dbraw/zinc/71/61/93/346716193.db2.gz FYKPPFQFRLJAKE-LLVKDONJSA-N 2 1 182.311 1.742 20 0 ADADMP CCn1cc[nH+]c1[C@H]1CC[C@H]([NH3+])CC1 584882986 346750574 /nfs/dbraw/zinc/75/05/74/346750574.db2.gz CSRGNXPHUKSKHK-MGCOHNPYSA-N 2 1 193.294 1.888 20 0 ADADMP CC(C)C[N@@H+](C)CC1CC[NH+](C)CC1 591082727 346802825 /nfs/dbraw/zinc/80/28/25/346802825.db2.gz AVYRIRQZFWMODI-UHFFFAOYSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)[N@H+]1CCC[C@H](n2ccnc2)C1 591868064 346825534 /nfs/dbraw/zinc/82/55/34/346825534.db2.gz WHYOYZWFPQAAIH-NSHDSACASA-N 2 1 193.294 1.928 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H](n2ccnc2)C1 591868058 346825600 /nfs/dbraw/zinc/82/56/00/346825600.db2.gz WHYOYZWFPQAAIH-LLVKDONJSA-N 2 1 193.294 1.928 20 0 ADADMP CCSCC[N@H+](C)CC(C)(C)[NH3+] 595898535 346869831 /nfs/dbraw/zinc/86/98/31/346869831.db2.gz JGJFCPHWDXBOAY-UHFFFAOYSA-N 2 1 190.356 1.409 20 0 ADADMP CCSCC[N@@H+](C)CC(C)(C)[NH3+] 595898535 346869832 /nfs/dbraw/zinc/86/98/32/346869832.db2.gz JGJFCPHWDXBOAY-UHFFFAOYSA-N 2 1 190.356 1.409 20 0 ADADMP CCC[NH+]1CCC([N@@H+](C)CC)CC1 599179989 346901795 /nfs/dbraw/zinc/90/17/95/346901795.db2.gz DSGDICWGSDAWNM-UHFFFAOYSA-N 2 1 184.327 1.813 20 0 ADADMP CCC[N@H+]1CC[C@H](C[NH+](C)C)C1 603557287 346956445 /nfs/dbraw/zinc/95/64/45/346956445.db2.gz NQFCQLGLUVCBLS-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC(C)C[N@H+]1CC[C@H](C[NH+](C)C)C1 603556960 346956455 /nfs/dbraw/zinc/95/64/55/346956455.db2.gz UKYFBUNMIZGVBA-LLVKDONJSA-N 2 1 184.327 1.526 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 603557291 346956652 /nfs/dbraw/zinc/95/66/52/346956652.db2.gz QZGFWQSBVJYQTN-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 603556961 346956734 /nfs/dbraw/zinc/95/67/34/346956734.db2.gz UKYFBUNMIZGVBA-NSHDSACASA-N 2 1 184.327 1.526 20 0 ADADMP CCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 603557286 346956801 /nfs/dbraw/zinc/95/68/01/346956801.db2.gz NQFCQLGLUVCBLS-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 603557290 346957044 /nfs/dbraw/zinc/95/70/44/346957044.db2.gz QZGFWQSBVJYQTN-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)CC1CC1 604773950 346965381 /nfs/dbraw/zinc/96/53/81/346965381.db2.gz SDENVFFWXGXMAB-UHFFFAOYSA-N 2 1 184.327 1.670 20 0 ADADMP CC[N@@H+](CCC[NH+](C)C)CC(C)C 604767344 346965559 /nfs/dbraw/zinc/96/55/59/346965559.db2.gz BKKPNSNVHDQVBN-UHFFFAOYSA-N 2 1 186.343 1.916 20 0 ADADMP CC(C)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 605421292 346970845 /nfs/dbraw/zinc/97/08/45/346970845.db2.gz QTHGWCACDPLDBJ-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 605421292 346970846 /nfs/dbraw/zinc/97/08/46/346970846.db2.gz QTHGWCACDPLDBJ-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 605421292 346970848 /nfs/dbraw/zinc/97/08/48/346970848.db2.gz QTHGWCACDPLDBJ-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 605421291 346970943 /nfs/dbraw/zinc/97/09/43/346970943.db2.gz QTHGWCACDPLDBJ-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 605421291 346970944 /nfs/dbraw/zinc/97/09/44/346970944.db2.gz QTHGWCACDPLDBJ-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC(C)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 605421291 346970945 /nfs/dbraw/zinc/97/09/45/346970945.db2.gz QTHGWCACDPLDBJ-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 605421297 346971025 /nfs/dbraw/zinc/97/10/25/346971025.db2.gz UBPOGNVFIQXZDV-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 605421297 346971028 /nfs/dbraw/zinc/97/10/28/346971028.db2.gz UBPOGNVFIQXZDV-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 605421297 346971030 /nfs/dbraw/zinc/97/10/30/346971030.db2.gz UBPOGNVFIQXZDV-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 606901410 346986369 /nfs/dbraw/zinc/98/63/69/346986369.db2.gz KMSQXEFMKMMHQE-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 606901406 346986464 /nfs/dbraw/zinc/98/64/64/346986464.db2.gz KMSQXEFMKMMHQE-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC2CC2)C1 608497277 347006161 /nfs/dbraw/zinc/00/61/61/347006161.db2.gz ZQBLNXXPZZDSKR-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC2)C1 608497270 347006437 /nfs/dbraw/zinc/00/64/37/347006437.db2.gz WGIURGJIXZHVPN-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC2CC2)C1 608497278 347006525 /nfs/dbraw/zinc/00/65/25/347006525.db2.gz ZQBLNXXPZZDSKR-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCC2)C1 608497269 347006583 /nfs/dbraw/zinc/00/65/83/347006583.db2.gz WGIURGJIXZHVPN-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C 608500855 347009016 /nfs/dbraw/zinc/00/90/16/347009016.db2.gz CRQYVSXNNWQBHL-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C 608500855 347009017 /nfs/dbraw/zinc/00/90/17/347009017.db2.gz CRQYVSXNNWQBHL-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C 608500855 347009019 /nfs/dbraw/zinc/00/90/19/347009019.db2.gz CRQYVSXNNWQBHL-NSHDSACASA-N 2 1 184.327 1.813 20 0 ADADMP CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C 608500854 347009110 /nfs/dbraw/zinc/00/91/10/347009110.db2.gz CRQYVSXNNWQBHL-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C 608500854 347009112 /nfs/dbraw/zinc/00/91/12/347009112.db2.gz CRQYVSXNNWQBHL-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](C)CC[C@H]1CCCC[N@H+]1C 608500854 347009114 /nfs/dbraw/zinc/00/91/14/347009114.db2.gz CRQYVSXNNWQBHL-LLVKDONJSA-N 2 1 184.327 1.813 20 0 ADADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC)C1 608508659 347009720 /nfs/dbraw/zinc/00/97/20/347009720.db2.gz LOTQVIFJKQPWGS-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC)C1 608508660 347009745 /nfs/dbraw/zinc/00/97/45/347009745.db2.gz LOTQVIFJKQPWGS-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CC[N@@H+](C)C[C@H]1CC[NH+](C(C)C)C1 608577928 347011147 /nfs/dbraw/zinc/01/11/47/347011147.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@@H+](C(C)C)C1 608577928 347011149 /nfs/dbraw/zinc/01/11/49/347011149.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@H+](C(C)C)C1 608577928 347011151 /nfs/dbraw/zinc/01/11/51/347011151.db2.gz FFUPDBKGARNWRD-LLVKDONJSA-N 2 1 184.327 1.668 20 0 ADADMP CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 608577973 347011372 /nfs/dbraw/zinc/01/13/72/347011372.db2.gz KSGRXMZXGJYDKR-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC)C1 608577973 347011376 /nfs/dbraw/zinc/01/13/76/347011376.db2.gz KSGRXMZXGJYDKR-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC)C1 608577973 347011377 /nfs/dbraw/zinc/01/13/77/347011377.db2.gz KSGRXMZXGJYDKR-JTQLQIEISA-N 2 1 170.300 1.280 20 0 ADADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)C)C1 608577963 347011558 /nfs/dbraw/zinc/01/15/58/347011558.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)C)C1 608577963 347011560 /nfs/dbraw/zinc/01/15/60/347011560.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)C)C1 608577963 347011562 /nfs/dbraw/zinc/01/15/62/347011562.db2.gz RCIZBAFCFGBKBB-GFCCVEGCSA-N 2 1 198.354 1.916 20 0 ADADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C(C)C)C1 608577929 347011639 /nfs/dbraw/zinc/01/16/39/347011639.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C(C)C)C1 608577929 347011640 /nfs/dbraw/zinc/01/16/40/347011640.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@H+](C(C)C)C1 608577929 347011643 /nfs/dbraw/zinc/01/16/43/347011643.db2.gz FFUPDBKGARNWRD-NSHDSACASA-N 2 1 184.327 1.668 20 0 ADADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)C)C1 608577964 347011767 /nfs/dbraw/zinc/01/17/67/347011767.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)C)C1 608577964 347011768 /nfs/dbraw/zinc/01/17/68/347011768.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)C)C1 608577964 347011770 /nfs/dbraw/zinc/01/17/70/347011770.db2.gz RCIZBAFCFGBKBB-LBPRGKRZSA-N 2 1 198.354 1.916 20 0 ADADMP CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 608577974 347012326 /nfs/dbraw/zinc/01/23/26/347012326.db2.gz KSGRXMZXGJYDKR-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@H+](CC)C1 608577974 347012328 /nfs/dbraw/zinc/01/23/28/347012328.db2.gz KSGRXMZXGJYDKR-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC)C1 608577974 347012330 /nfs/dbraw/zinc/01/23/30/347012330.db2.gz KSGRXMZXGJYDKR-SNVBAGLBSA-N 2 1 170.300 1.280 20 0 ADADMP CCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 608577977 347012343 /nfs/dbraw/zinc/01/23/43/347012343.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 608577977 347012344 /nfs/dbraw/zinc/01/23/44/347012344.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 608577977 347012345 /nfs/dbraw/zinc/01/23/45/347012345.db2.gz OFOYAYKXYBUNPO-LLVKDONJSA-N 2 1 184.327 1.670 20 0 ADADMP CCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 608577978 347012431 /nfs/dbraw/zinc/01/24/31/347012431.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 608577978 347012432 /nfs/dbraw/zinc/01/24/32/347012432.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 608577978 347012434 /nfs/dbraw/zinc/01/24/34/347012434.db2.gz OFOYAYKXYBUNPO-NSHDSACASA-N 2 1 184.327 1.670 20 0 ADADMP CC1CC(C[NH2+]C2CC[NH+](C)CC2)C1 621383680 347228492 /nfs/dbraw/zinc/22/84/92/347228492.db2.gz QGJPPMHLFTURJJ-UHFFFAOYSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621779075 347233018 /nfs/dbraw/zinc/23/30/18/347233018.db2.gz ZLBDPVMRFLSMKH-NXEZZACHSA-N 2 1 168.284 1.208 20 0 ADADMP CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621778524 347232965 /nfs/dbraw/zinc/23/29/65/347232965.db2.gz QSPWIBADUIZYTA-ZJUUUORDSA-N 2 1 168.284 1.210 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621779076 347232991 /nfs/dbraw/zinc/23/29/91/347232991.db2.gz ZLBDPVMRFLSMKH-UWVGGRQHSA-N 2 1 168.284 1.208 20 0 ADADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 621779257 347233008 /nfs/dbraw/zinc/23/30/08/347233008.db2.gz BVVLVKTWALYMRV-RYUDHWBXSA-N 2 1 194.322 1.600 20 0 ADADMP CCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621777665 347233095 /nfs/dbraw/zinc/23/30/95/347233095.db2.gz DWFXRBFHRKIVNI-GHMZBOCLSA-N 2 1 182.311 1.600 20 0 ADADMP CC(C)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621778155 347233115 /nfs/dbraw/zinc/23/31/15/347233115.db2.gz LHSRQSRSDLWVTH-VXGBXAGGSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621777806 347233148 /nfs/dbraw/zinc/23/31/48/347233148.db2.gz HDASVJHVGHIDCN-MNOVXSKESA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621778152 347233174 /nfs/dbraw/zinc/23/31/74/347233174.db2.gz LHSRQSRSDLWVTH-NEPJUHHUSA-N 2 1 196.338 1.846 20 0 ADADMP CCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621777813 347233199 /nfs/dbraw/zinc/23/31/99/347233199.db2.gz HNKWSFTWOUESFX-NEPJUHHUSA-N 2 1 196.338 1.990 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621780181 347233271 /nfs/dbraw/zinc/23/32/71/347233271.db2.gz OGILATBJCUFMIX-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621777668 347233285 /nfs/dbraw/zinc/23/32/85/347233285.db2.gz DWFXRBFHRKIVNI-WDEREUQCSA-N 2 1 182.311 1.600 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621780182 347233375 /nfs/dbraw/zinc/23/33/75/347233375.db2.gz OGILATBJCUFMIX-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621778523 347233386 /nfs/dbraw/zinc/23/33/86/347233386.db2.gz QSPWIBADUIZYTA-VHSXEESVSA-N 2 1 168.284 1.210 20 0 ADADMP CCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621777815 347233396 /nfs/dbraw/zinc/23/33/96/347233396.db2.gz HNKWSFTWOUESFX-RYUDHWBXSA-N 2 1 196.338 1.990 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621777667 347233419 /nfs/dbraw/zinc/23/34/19/347233419.db2.gz DWFXRBFHRKIVNI-QWRGUYRKSA-N 2 1 182.311 1.600 20 0 ADADMP CCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621777666 347233476 /nfs/dbraw/zinc/23/34/76/347233476.db2.gz DWFXRBFHRKIVNI-MNOVXSKESA-N 2 1 182.311 1.600 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621777808 347233560 /nfs/dbraw/zinc/23/35/60/347233560.db2.gz HDASVJHVGHIDCN-WDEREUQCSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 621780184 347233586 /nfs/dbraw/zinc/23/35/86/347233586.db2.gz OGILATBJCUFMIX-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621778521 347233624 /nfs/dbraw/zinc/23/36/24/347233624.db2.gz QSPWIBADUIZYTA-NXEZZACHSA-N 2 1 168.284 1.210 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621778154 347233687 /nfs/dbraw/zinc/23/36/87/347233687.db2.gz LHSRQSRSDLWVTH-RYUDHWBXSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621777805 347233702 /nfs/dbraw/zinc/23/37/02/347233702.db2.gz HDASVJHVGHIDCN-GHMZBOCLSA-N 2 1 182.311 1.456 20 0 ADADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CC1)C2 621783529 347233730 /nfs/dbraw/zinc/23/37/30/347233730.db2.gz DBIKNYCTFFWKPM-GHMZBOCLSA-N 2 1 180.295 1.210 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621780183 347233780 /nfs/dbraw/zinc/23/37/80/347233780.db2.gz OGILATBJCUFMIX-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 621779256 347233792 /nfs/dbraw/zinc/23/37/92/347233792.db2.gz BVVLVKTWALYMRV-NWDGAFQWSA-N 2 1 194.322 1.600 20 0 ADADMP CC(C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 621779077 347233839 /nfs/dbraw/zinc/23/38/39/347233839.db2.gz ZLBDPVMRFLSMKH-VHSXEESVSA-N 2 1 168.284 1.208 20 0 ADADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CC1CCC1)C2 621779258 347233888 /nfs/dbraw/zinc/23/38/88/347233888.db2.gz BVVLVKTWALYMRV-VXGBXAGGSA-N 2 1 194.322 1.600 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621778522 347233904 /nfs/dbraw/zinc/23/39/04/347233904.db2.gz QSPWIBADUIZYTA-UWVGGRQHSA-N 2 1 168.284 1.210 20 0 ADADMP CCCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 621777816 347233918 /nfs/dbraw/zinc/23/39/18/347233918.db2.gz HNKWSFTWOUESFX-VXGBXAGGSA-N 2 1 196.338 1.990 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 621777807 347233931 /nfs/dbraw/zinc/23/39/31/347233931.db2.gz HDASVJHVGHIDCN-QWRGUYRKSA-N 2 1 182.311 1.456 20 0 ADADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CCC1)C2 621779255 347233960 /nfs/dbraw/zinc/23/39/60/347233960.db2.gz BVVLVKTWALYMRV-NEPJUHHUSA-N 2 1 194.322 1.600 20 0 ADADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CC1CC1)C2 621783530 347234336 /nfs/dbraw/zinc/23/43/36/347234336.db2.gz DBIKNYCTFFWKPM-MNOVXSKESA-N 2 1 180.295 1.210 20 0 ADADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCF)C2 621784258 347234395 /nfs/dbraw/zinc/23/43/95/347234395.db2.gz MAEUMMSVGXSRHM-NXEZZACHSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCF)C2 621784258 347234400 /nfs/dbraw/zinc/23/44/00/347234400.db2.gz MAEUMMSVGXSRHM-NXEZZACHSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCF)C2 621784261 347234591 /nfs/dbraw/zinc/23/45/91/347234591.db2.gz MAEUMMSVGXSRHM-ZJUUUORDSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCF)C2 621784261 347234593 /nfs/dbraw/zinc/23/45/93/347234593.db2.gz MAEUMMSVGXSRHM-ZJUUUORDSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 621783531 347234602 /nfs/dbraw/zinc/23/46/02/347234602.db2.gz DBIKNYCTFFWKPM-QWRGUYRKSA-N 2 1 180.295 1.210 20 0 ADADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCF)C2 621784260 347234792 /nfs/dbraw/zinc/23/47/92/347234792.db2.gz MAEUMMSVGXSRHM-VHSXEESVSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCF)C2 621784260 347234794 /nfs/dbraw/zinc/23/47/94/347234794.db2.gz MAEUMMSVGXSRHM-VHSXEESVSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 621783532 347234822 /nfs/dbraw/zinc/23/48/22/347234822.db2.gz DBIKNYCTFFWKPM-WDEREUQCSA-N 2 1 180.295 1.210 20 0 ADADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCF)C2 621784259 347234859 /nfs/dbraw/zinc/23/48/59/347234859.db2.gz MAEUMMSVGXSRHM-UWVGGRQHSA-N 2 1 186.274 1.159 20 0 ADADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCF)C2 621784259 347234861 /nfs/dbraw/zinc/23/48/61/347234861.db2.gz MAEUMMSVGXSRHM-UWVGGRQHSA-N 2 1 186.274 1.159 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])o1 622045633 347238123 /nfs/dbraw/zinc/23/81/23/347238123.db2.gz HZXUIZHKNFFDLM-WPRPVWTQSA-N 2 1 196.294 1.976 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])o1 622045632 347238365 /nfs/dbraw/zinc/23/83/65/347238365.db2.gz HZXUIZHKNFFDLM-WCBMZHEXSA-N 2 1 196.294 1.976 20 0 ADADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccco1 622045649 347238576 /nfs/dbraw/zinc/23/85/76/347238576.db2.gz JRPWZYYMXKHRCJ-IUCAKERBSA-N 2 1 182.267 1.668 20 0 ADADMP C[C@H]([NH3+])CC[NH2+][C@H](C)c1ccco1 622045648 347238648 /nfs/dbraw/zinc/23/86/48/347238648.db2.gz JRPWZYYMXKHRCJ-DTWKUNHWSA-N 2 1 182.267 1.668 20 0 ADADMP Cn1c[nH+]cc1CC[NH2+]CC1(C)CC1 623085892 347252644 /nfs/dbraw/zinc/25/26/44/347252644.db2.gz LQPAOBVQNJYABI-UHFFFAOYSA-N 2 1 193.294 1.352 20 0 ADADMP CC(C)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 623655351 347260306 /nfs/dbraw/zinc/26/03/06/347260306.db2.gz VRPAXIPCWCSGHR-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP C[N@H+]1CCCC[C@H](C[NH2+]CC2CC2)C1 623656571 347260350 /nfs/dbraw/zinc/26/03/50/347260350.db2.gz XNTPMVVVPIWROG-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[N@H+]1CCCC[C@@H](C[NH2+]CC2CC2)C1 623656572 347260365 /nfs/dbraw/zinc/26/03/65/347260365.db2.gz XNTPMVVVPIWROG-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 623655352 347260481 /nfs/dbraw/zinc/26/04/81/347260481.db2.gz VRPAXIPCWCSGHR-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 624121829 347270185 /nfs/dbraw/zinc/27/01/85/347270185.db2.gz DOXYXJUKNMMNKI-LLVKDONJSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 624121830 347270202 /nfs/dbraw/zinc/27/02/02/347270202.db2.gz DOXYXJUKNMMNKI-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 629553258 347348659 /nfs/dbraw/zinc/34/86/59/347348659.db2.gz SLKXZAWFJDBXNK-BBBLOLIVSA-N 2 1 168.284 1.127 20 0 ADADMP C1CC([C@H]2CC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)C1 629552981 347348687 /nfs/dbraw/zinc/34/86/87/347348687.db2.gz AZTGQZOHLIXMHQ-UTUOFQBUSA-N 2 1 194.322 1.517 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 629553259 347348695 /nfs/dbraw/zinc/34/86/95/347348695.db2.gz SLKXZAWFJDBXNK-IVZWLZJFSA-N 2 1 168.284 1.127 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[NH2+]C1 629553254 347348751 /nfs/dbraw/zinc/34/87/51/347348751.db2.gz SLKXZAWFJDBXNK-AEJSXWLSSA-N 2 1 168.284 1.127 20 0 ADADMP C1CC([C@H]2CC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)C1 629552980 347348853 /nfs/dbraw/zinc/34/88/53/347348853.db2.gz AZTGQZOHLIXMHQ-IJLUTSLNSA-N 2 1 194.322 1.517 20 0 ADADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@@H]2CC[NH2+]C2)C1 629552979 347348936 /nfs/dbraw/zinc/34/89/36/347348936.db2.gz AZTGQZOHLIXMHQ-GRYCIOLGSA-N 2 1 194.322 1.517 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[NH2+]C1 629553260 347349104 /nfs/dbraw/zinc/34/91/04/347349104.db2.gz SLKXZAWFJDBXNK-OPRDCNLKSA-N 2 1 168.284 1.127 20 0 ADADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@@H]2CC[NH2+]C2)C1 629552982 347349211 /nfs/dbraw/zinc/34/92/11/347349211.db2.gz AZTGQZOHLIXMHQ-WOPDTQHZSA-N 2 1 194.322 1.517 20 0 ADADMP CC[N@H+](CC[NH3+])CCCOC(C)C 629555823 347350940 /nfs/dbraw/zinc/35/09/40/347350940.db2.gz AAZWJGAQLFDKPX-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP CC[N@@H+](CC[NH3+])CCCOC(C)C 629555823 347350944 /nfs/dbraw/zinc/35/09/44/347350944.db2.gz AAZWJGAQLFDKPX-UHFFFAOYSA-N 2 1 188.315 1.082 20 0 ADADMP C[NH2+]CCC[N@H+](C)Cc1ccn(C)c1 629648223 347353488 /nfs/dbraw/zinc/35/34/88/347353488.db2.gz IOSIXLWECQDZJO-UHFFFAOYSA-N 2 1 195.310 1.066 20 0 ADADMP C[NH2+]CCC[N@@H+](C)Cc1ccn(C)c1 629648223 347353491 /nfs/dbraw/zinc/35/34/91/347353491.db2.gz IOSIXLWECQDZJO-UHFFFAOYSA-N 2 1 195.310 1.066 20 0 ADADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccncc1C 629649668 347354099 /nfs/dbraw/zinc/35/40/99/347354099.db2.gz YWJZRWMGCVHXJV-LLVKDONJSA-N 2 1 193.294 1.217 20 0 ADADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccn(C)c1 629653847 347355060 /nfs/dbraw/zinc/35/50/60/347355060.db2.gz KYKURFPLPFCJDN-NSHDSACASA-N 2 1 195.310 1.098 20 0 ADADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccn(C)c1 629653846 347355214 /nfs/dbraw/zinc/35/52/14/347355214.db2.gz KYKURFPLPFCJDN-LLVKDONJSA-N 2 1 195.310 1.098 20 0 ADADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@H]2C)C[C@H]1C[NH3+] 631836969 347388526 /nfs/dbraw/zinc/38/85/26/347388526.db2.gz KRKCKNIWJMVNGI-CHWFTXMASA-N 2 1 182.311 1.169 20 0 ADADMP [NH3+][C@@H]1CCCCC[N@@H+](CCCF)C1 631834883 347388793 /nfs/dbraw/zinc/38/87/93/347388793.db2.gz HPSKWAPEYDHSRF-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP C[C@@H]1C[N@H+](C[C@@H]2C[C@@H]2C)C[C@H]1C[NH3+] 631836972 347388983 /nfs/dbraw/zinc/38/89/83/347388983.db2.gz KRKCKNIWJMVNGI-ZRUFSTJUSA-N 2 1 182.311 1.169 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631838980 347390043 /nfs/dbraw/zinc/39/00/43/347390043.db2.gz XZIOLOOPHNRFJY-KXUCPTDWSA-N 2 1 170.300 1.312 20 0 ADADMP CCCC[N@H+]1C[C@@H](C)[C@H](C[NH3+])C1 631842819 347390206 /nfs/dbraw/zinc/39/02/06/347390206.db2.gz GIDUGFXMCRQQHM-NXEZZACHSA-N 2 1 170.300 1.313 20 0 ADADMP FCCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 631867221 347392315 /nfs/dbraw/zinc/39/23/15/347392315.db2.gz MUJNEYLQMOLUJL-ZJUUUORDSA-N 2 1 186.274 1.078 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CCC1 631861883 347392372 /nfs/dbraw/zinc/39/23/72/347392372.db2.gz JNKVZQYCNIFDCF-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CCC1 631861882 347392426 /nfs/dbraw/zinc/39/24/26/347392426.db2.gz JNKVZQYCNIFDCF-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CCC1 631861882 347392429 /nfs/dbraw/zinc/39/24/29/347392429.db2.gz JNKVZQYCNIFDCF-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 631862530 347392539 /nfs/dbraw/zinc/39/25/39/347392539.db2.gz QUGBLLNDLVZZER-QWRGUYRKSA-N 2 1 182.311 1.764 20 0 ADADMP CC(C)=CCC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 631862530 347392540 /nfs/dbraw/zinc/39/25/40/347392540.db2.gz QUGBLLNDLVZZER-QWRGUYRKSA-N 2 1 182.311 1.764 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 631862531 347392654 /nfs/dbraw/zinc/39/26/54/347392654.db2.gz QUGBLLNDLVZZER-WDEREUQCSA-N 2 1 182.311 1.764 20 0 ADADMP CC(C)=CCC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 631862531 347392656 /nfs/dbraw/zinc/39/26/56/347392656.db2.gz QUGBLLNDLVZZER-WDEREUQCSA-N 2 1 182.311 1.764 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCC1CCC1 631861886 347392716 /nfs/dbraw/zinc/39/27/16/347392716.db2.gz JNKVZQYCNIFDCF-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCC1CCC1 631861886 347392719 /nfs/dbraw/zinc/39/27/19/347392719.db2.gz JNKVZQYCNIFDCF-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 631862529 347392825 /nfs/dbraw/zinc/39/28/25/347392825.db2.gz QUGBLLNDLVZZER-MNOVXSKESA-N 2 1 182.311 1.764 20 0 ADADMP CC(C)=CCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 631862529 347392826 /nfs/dbraw/zinc/39/28/26/347392826.db2.gz QUGBLLNDLVZZER-MNOVXSKESA-N 2 1 182.311 1.764 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCC1CCC1 631861885 347392871 /nfs/dbraw/zinc/39/28/71/347392871.db2.gz JNKVZQYCNIFDCF-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCC1CCC1 631861885 347392873 /nfs/dbraw/zinc/39/28/73/347392873.db2.gz JNKVZQYCNIFDCF-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@H]([NH3+])C[C@H]1C 631862527 347392890 /nfs/dbraw/zinc/39/28/90/347392890.db2.gz QUGBLLNDLVZZER-GHMZBOCLSA-N 2 1 182.311 1.764 20 0 ADADMP CC(C)=CCC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 631862527 347392893 /nfs/dbraw/zinc/39/28/93/347392893.db2.gz QUGBLLNDLVZZER-GHMZBOCLSA-N 2 1 182.311 1.764 20 0 ADADMP C[C@@H]1C[N@@H+](CC2(C)CC2)C[C@H]1C[NH3+] 634998879 347435433 /nfs/dbraw/zinc/43/54/33/347435433.db2.gz MGQDGIWSHPMBMT-NXEZZACHSA-N 2 1 182.311 1.313 20 0 ADADMP CC(C)([NH3+])C[NH+]1CCC(C)(F)CC1 635001842 347436052 /nfs/dbraw/zinc/43/60/52/347436052.db2.gz HEOUOUNYDKCMBD-UHFFFAOYSA-N 2 1 188.290 1.548 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o1 635009065 347436931 /nfs/dbraw/zinc/43/69/31/347436931.db2.gz LVHXDTJGHSUCBG-BDAKNGLRSA-N 2 1 196.294 1.803 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o1 635009085 347437197 /nfs/dbraw/zinc/43/71/97/347437197.db2.gz LVHXDTJGHSUCBG-IUCAKERBSA-N 2 1 196.294 1.803 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o1 635009086 347437286 /nfs/dbraw/zinc/43/72/86/347437286.db2.gz LVHXDTJGHSUCBG-RKDXNWHRSA-N 2 1 196.294 1.803 20 0 ADADMP Cc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o1 635009084 347437334 /nfs/dbraw/zinc/43/73/34/347437334.db2.gz LVHXDTJGHSUCBG-DTWKUNHWSA-N 2 1 196.294 1.803 20 0 ADADMP C[NH2+]CCC[N@H+]1[C@H](C)CCC1(C)C 641800944 347584638 /nfs/dbraw/zinc/58/46/38/347584638.db2.gz JISZSDIWADVXSQ-SNVBAGLBSA-N 2 1 184.327 1.859 20 0 ADADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@H]1CC[NH2+]C1 641801931 347584809 /nfs/dbraw/zinc/58/48/09/347584809.db2.gz WCCLOBPCQTWWGR-QWRGUYRKSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@H]1CC[NH2+]C1 641801930 347584937 /nfs/dbraw/zinc/58/49/37/347584937.db2.gz WCCLOBPCQTWWGR-MNOVXSKESA-N 2 1 196.338 1.859 20 0 ADADMP C[NH2+]CCC[N@H+]1[C@@H](C)CCC1(C)C 641800943 347584941 /nfs/dbraw/zinc/58/49/41/347584941.db2.gz JISZSDIWADVXSQ-JTQLQIEISA-N 2 1 184.327 1.859 20 0 ADADMP C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC[NH2+]C1 641801929 347584958 /nfs/dbraw/zinc/58/49/58/347584958.db2.gz WCCLOBPCQTWWGR-GHMZBOCLSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCC(C)(C)[N@H+]1C[C@@H]1CC[NH2+]C1 641801932 347585055 /nfs/dbraw/zinc/58/50/55/347585055.db2.gz WCCLOBPCQTWWGR-WDEREUQCSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 19881902 351396881 /nfs/dbraw/zinc/39/68/81/351396881.db2.gz SEYPRYDJCSSFKM-SNVBAGLBSA-N 2 1 184.327 1.859 20 0 ADADMP CC(C)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994449 351424444 /nfs/dbraw/zinc/42/44/44/351424444.db2.gz VEMDPJAYHYGLRP-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994446 351424506 /nfs/dbraw/zinc/42/45/06/351424506.db2.gz VEMDPJAYHYGLRP-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 31994440 351424632 /nfs/dbraw/zinc/42/46/32/351424632.db2.gz NRYSDGPGCGNGNT-LLVKDONJSA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 31994442 351424719 /nfs/dbraw/zinc/42/47/19/351424719.db2.gz NRYSDGPGCGNGNT-NSHDSACASA-N 2 1 182.311 1.328 20 0 ADADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CC1 36907495 351459984 /nfs/dbraw/zinc/45/99/84/351459984.db2.gz KFKLWVPTFCIDTN-FOGDFJRCSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC1 36907415 351460034 /nfs/dbraw/zinc/46/00/34/351460034.db2.gz OBSZKLARRAHWGA-KKZNHRDASA-N 2 1 182.311 1.467 20 0 ADADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC1 36907417 351460084 /nfs/dbraw/zinc/46/00/84/351460084.db2.gz OBSZKLARRAHWGA-FXPVBKGRSA-N 2 1 182.311 1.467 20 0 ADADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CC1 36907497 351460440 /nfs/dbraw/zinc/46/04/40/351460440.db2.gz KFKLWVPTFCIDTN-CKYFFXLPSA-N 2 1 196.338 1.715 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 36996546 351462049 /nfs/dbraw/zinc/46/20/49/351462049.db2.gz MNLCNJCIXXRYRJ-VXGBXAGGSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 36996546 351462053 /nfs/dbraw/zinc/46/20/53/351462053.db2.gz MNLCNJCIXXRYRJ-VXGBXAGGSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 36996547 351462494 /nfs/dbraw/zinc/46/24/94/351462494.db2.gz MNLCNJCIXXRYRJ-NWDGAFQWSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 36996547 351462496 /nfs/dbraw/zinc/46/24/96/351462496.db2.gz MNLCNJCIXXRYRJ-NWDGAFQWSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@@H]([NH3+])C1 37240453 351464101 /nfs/dbraw/zinc/46/41/01/351464101.db2.gz ZNDIFCQEPTXPEF-SECBINFHSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])C1 37240453 351464105 /nfs/dbraw/zinc/46/41/05/351464105.db2.gz ZNDIFCQEPTXPEF-SECBINFHSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@H]([NH3+])C1 37240452 351464300 /nfs/dbraw/zinc/46/43/00/351464300.db2.gz ZNDIFCQEPTXPEF-VIFPVBQESA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])C1 37240452 351464304 /nfs/dbraw/zinc/46/43/04/351464304.db2.gz ZNDIFCQEPTXPEF-VIFPVBQESA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H](C)[N@@H+]1CC[C@H]([NH2+]C)C1 37241363 351464360 /nfs/dbraw/zinc/46/43/60/351464360.db2.gz ZGUXHGINAXZIOQ-BDAKNGLRSA-N 2 1 156.273 1.079 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@H]([NH2+]C)C1 37241363 351464365 /nfs/dbraw/zinc/46/43/65/351464365.db2.gz ZGUXHGINAXZIOQ-BDAKNGLRSA-N 2 1 156.273 1.079 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CC[NH3+])CC(C)(C)C1 37712566 351472662 /nfs/dbraw/zinc/47/26/62/351472662.db2.gz RYVNTQILYKWKEE-NXEZZACHSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[NH3+] 37712307 351472672 /nfs/dbraw/zinc/47/26/72/351472672.db2.gz LELQSKPWCIRQKI-RKDXNWHRSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+]CC[NH3+])C1 37712303 351472788 /nfs/dbraw/zinc/47/27/88/351472788.db2.gz OPASVQUJHANLIR-RKDXNWHRSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[NH3+] 37712295 351472897 /nfs/dbraw/zinc/47/28/97/351472897.db2.gz BVMYXYOLIIIZSX-RKDXNWHRSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 37712293 351472940 /nfs/dbraw/zinc/47/29/40/351472940.db2.gz BVMYXYOLIIIZSX-BDAKNGLRSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+]CC[NH3+])C1 37712301 351472975 /nfs/dbraw/zinc/47/29/75/351472975.db2.gz OPASVQUJHANLIR-BDAKNGLRSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CC[NH3+])CC(C)(C)C1 37712564 351473096 /nfs/dbraw/zinc/47/30/96/351473096.db2.gz RYVNTQILYKWKEE-ZJUUUORDSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 37911184 351475622 /nfs/dbraw/zinc/47/56/22/351475622.db2.gz YWPPMDPWTSYSBW-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1CCC[N@H+]1CCC1CC[NH2+]CC1 37911092 351475767 /nfs/dbraw/zinc/47/57/67/351475767.db2.gz BHNMUGHFPFXLPP-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 37911176 351475853 /nfs/dbraw/zinc/47/58/53/351475853.db2.gz HJDHCLSOZCBFLG-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)C1CC[NH+](CCN)CC1 39104435 351491164 /nfs/dbraw/zinc/49/11/64/351491164.db2.gz LSHOJQBCWXOFET-UHFFFAOYSA-N 2 1 170.300 1.313 20 0 ADADMP CC(C)C[C@H]([NH3+])C[NH+]1CCCCC1 39141175 351496754 /nfs/dbraw/zinc/49/67/54/351496754.db2.gz BJHSBIZQAVXMNG-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1 40725232 351509814 /nfs/dbraw/zinc/50/98/14/351509814.db2.gz VAPHSRVSOIYBJE-SNVBAGLBSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 40718451 351509960 /nfs/dbraw/zinc/50/99/60/351509960.db2.gz COUBHGOFOAFWFR-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@@H]([NH3+])C1 40740115 351510096 /nfs/dbraw/zinc/51/00/96/351510096.db2.gz NXPPANDHVLRCSH-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@H]([NH3+])C1 40740113 351510138 /nfs/dbraw/zinc/51/01/38/351510138.db2.gz NXPPANDHVLRCSH-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 40725235 351510300 /nfs/dbraw/zinc/51/03/00/351510300.db2.gz MVRCEZDUFJIWBW-GHMZBOCLSA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1ccccc1 40926083 351513119 /nfs/dbraw/zinc/51/31/19/351513119.db2.gz ZRIUABLAYPQZGA-UHFFFAOYSA-N 2 1 178.279 1.514 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] 40926033 351513418 /nfs/dbraw/zinc/51/34/18/351513418.db2.gz REXBGBCETQCMHZ-MRVPVSSYSA-N 2 1 156.273 1.208 20 0 ADADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])C1 40926099 351513502 /nfs/dbraw/zinc/51/35/02/351513502.db2.gz HPOVDXWLEBHUKG-MRVPVSSYSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 43323693 351527160 /nfs/dbraw/zinc/52/71/60/351527160.db2.gz GWVVXJMCDDFHRV-BDAKNGLRSA-N 2 1 156.273 1.127 20 0 ADADMP CC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43323689 351527302 /nfs/dbraw/zinc/52/73/02/351527302.db2.gz GWVVXJMCDDFHRV-RKDXNWHRSA-N 2 1 156.273 1.127 20 0 ADADMP CC(C)C[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 43325416 351527353 /nfs/dbraw/zinc/52/73/53/351527353.db2.gz ISZCYOABZCSFNG-MNOVXSKESA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43325414 351527382 /nfs/dbraw/zinc/52/73/82/351527382.db2.gz ISZCYOABZCSFNG-WDEREUQCSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 43325418 351527672 /nfs/dbraw/zinc/52/76/72/351527672.db2.gz ISZCYOABZCSFNG-QWRGUYRKSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43325412 351527843 /nfs/dbraw/zinc/52/78/43/351527843.db2.gz ISZCYOABZCSFNG-GHMZBOCLSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 44418929 351538713 /nfs/dbraw/zinc/53/87/13/351538713.db2.gz QHFCGKCXVKEOFK-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 44418936 351538966 /nfs/dbraw/zinc/53/89/66/351538966.db2.gz QHFCGKCXVKEOFK-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 44527958 351539556 /nfs/dbraw/zinc/53/95/56/351539556.db2.gz OAIRRWZBVQCCNI-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1[NH3+] 49710661 351548346 /nfs/dbraw/zinc/54/83/46/351548346.db2.gz XVZBRRXQEHYWAD-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1[NH3+] 49694098 351548449 /nfs/dbraw/zinc/54/84/49/351548449.db2.gz CCROAPGDWTVMOX-WPRPVWTQSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49709005 351548488 /nfs/dbraw/zinc/54/84/88/351548488.db2.gz HVWAXJHBNCJGAE-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C 49694167 351548512 /nfs/dbraw/zinc/54/85/12/351548512.db2.gz NWRQJNGJNPHOQV-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@@H]1[NH3+] 49710663 351548534 /nfs/dbraw/zinc/54/85/34/351548534.db2.gz XVZBRRXQEHYWAD-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 49707370 351548553 /nfs/dbraw/zinc/54/85/53/351548553.db2.gz PLNQBNGNQDUBDJ-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 49694181 351548706 /nfs/dbraw/zinc/54/87/06/351548706.db2.gz MEBDFQGZMLVPDO-NXEZZACHSA-N 2 1 170.300 1.469 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709105 351548720 /nfs/dbraw/zinc/54/87/20/351548720.db2.gz ILEQXCVFSIUHIA-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[N@@H+](CC2CCC2)CC[C@@H]1[NH3+] 49710554 351548735 /nfs/dbraw/zinc/54/87/35/351548735.db2.gz UNZUFDNULJPXMV-ONGXEEELSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49709004 351548743 /nfs/dbraw/zinc/54/87/43/351548743.db2.gz HVWAXJHBNCJGAE-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49707349 351548780 /nfs/dbraw/zinc/54/87/80/351548780.db2.gz HZSJBLJADQQQON-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCC2)CC[C@@H]1[NH3+] 49710552 351548938 /nfs/dbraw/zinc/54/89/38/351548938.db2.gz UNZUFDNULJPXMV-KOLCDFICSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1[NH3+] 49694097 351548996 /nfs/dbraw/zinc/54/89/96/351548996.db2.gz CCROAPGDWTVMOX-SCZZXKLOSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49707368 351549100 /nfs/dbraw/zinc/54/91/00/351549100.db2.gz PLNQBNGNQDUBDJ-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49707350 351549139 /nfs/dbraw/zinc/54/91/39/351549139.db2.gz HZSJBLJADQQQON-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49709107 351549158 /nfs/dbraw/zinc/54/91/58/351549158.db2.gz ILEQXCVFSIUHIA-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 50228000 351553414 /nfs/dbraw/zinc/55/34/14/351553414.db2.gz MNFIPDFEZQSIKU-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 50228000 351553415 /nfs/dbraw/zinc/55/34/15/351553415.db2.gz MNFIPDFEZQSIKU-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])[C@@H]1C 50563674 351554470 /nfs/dbraw/zinc/55/44/70/351554470.db2.gz HTNLWEMPQBLJFA-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CC[N@@H+](C)CC(C)(C)C[NH3+] 51259659 351556493 /nfs/dbraw/zinc/55/64/93/351556493.db2.gz IRCRLYYADNIVCA-UHFFFAOYSA-N 2 1 186.343 1.949 20 0 ADADMP CC(C)C[N@@H+](C)CC(C)(C)C[NH3+] 51215594 351556513 /nfs/dbraw/zinc/55/65/13/351556513.db2.gz SZBWLUOZADBJRV-UHFFFAOYSA-N 2 1 172.316 1.559 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+] 51214668 351556557 /nfs/dbraw/zinc/55/65/57/351556557.db2.gz IOJOMFDKWVNUPU-SECBINFHSA-N 2 1 172.316 1.702 20 0 ADADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH3+])C1 51249958 351556673 /nfs/dbraw/zinc/55/66/73/351556673.db2.gz ARHNBKNDULHGBX-SECBINFHSA-N 2 1 170.300 1.313 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH3+] 51215946 351556789 /nfs/dbraw/zinc/55/67/89/351556789.db2.gz LWQPYMSYQLTWOT-SNVBAGLBSA-N 2 1 186.343 1.949 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@@H]1CC[NH2+]C1 51889567 351560704 /nfs/dbraw/zinc/56/07/04/351560704.db2.gz LPYNCKMTSXWOJE-NXEZZACHSA-N 2 1 168.284 1.080 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 51919104 351561204 /nfs/dbraw/zinc/56/12/04/351561204.db2.gz GSJYSVAOMSOCPQ-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 51919082 351561622 /nfs/dbraw/zinc/56/16/22/351561622.db2.gz WZQOZRZLKXBWPR-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP [NH3+]C1C[C@@H]2CC[C@H](C1)[N@H+]2C1CCC1 54628649 351573576 /nfs/dbraw/zinc/57/35/76/351573576.db2.gz PTXQGOYQKJMYHC-UQPYNNQESA-N 2 1 180.295 1.493 20 0 ADADMP CC(C)C[N@@H+](C)C1CCC([NH3+])CC1 55144318 351577586 /nfs/dbraw/zinc/57/75/86/351577586.db2.gz PGQFMXIVDHHKFA-UHFFFAOYSA-N 2 1 184.327 1.844 20 0 ADADMP CCn1cc[nH+]c1[C@H]1CC[C@H]([NH3+])C1 70636604 351604487 /nfs/dbraw/zinc/60/44/87/351604487.db2.gz JQLSEXZPQJOVQJ-IUCAKERBSA-N 2 1 179.267 1.498 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 70643033 351604869 /nfs/dbraw/zinc/60/48/69/351604869.db2.gz FOLIFGZANFFJPW-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP Cn1cc[nH+]c1[C@H]1CC[C@@H]([NH3+])C1 70636454 351604959 /nfs/dbraw/zinc/60/49/59/351604959.db2.gz JWYQRFJELQQJKJ-JGVFFNPUSA-N 2 1 165.240 1.015 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 70643035 351605030 /nfs/dbraw/zinc/60/50/30/351605030.db2.gz FOLIFGZANFFJPW-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP CCn1cc[nH+]c1[C@@H]1CC[C@H]([NH3+])C1 70636602 351605100 /nfs/dbraw/zinc/60/51/00/351605100.db2.gz JQLSEXZPQJOVQJ-BDAKNGLRSA-N 2 1 179.267 1.498 20 0 ADADMP CCn1cc[nH+]c1[C@H]1CC[C@@H]([NH3+])C1 70636607 351605110 /nfs/dbraw/zinc/60/51/10/351605110.db2.gz JQLSEXZPQJOVQJ-DTWKUNHWSA-N 2 1 179.267 1.498 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 70825882 351606884 /nfs/dbraw/zinc/60/68/84/351606884.db2.gz QVGCNGZRXQPNFS-PWSUYJOCSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C)CC1 70825888 351607261 /nfs/dbraw/zinc/60/72/61/351607261.db2.gz QVGCNGZRXQPNFS-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C 73653712 351619365 /nfs/dbraw/zinc/61/93/65/351619365.db2.gz GYRZYXAGITYLSL-QWRGUYRKSA-N 2 1 184.327 1.572 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CC2)CC[N@@H+]1C 73655541 351619699 /nfs/dbraw/zinc/61/96/99/351619699.db2.gz JAWXGRYOSMCZIO-PSASIEDQSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CC2)CC[N@H+]1C 73655541 351619704 /nfs/dbraw/zinc/61/97/04/351619704.db2.gz JAWXGRYOSMCZIO-PSASIEDQSA-N 2 1 168.284 1.221 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C 73653709 351619859 /nfs/dbraw/zinc/61/98/59/351619859.db2.gz GYRZYXAGITYLSL-MNOVXSKESA-N 2 1 184.327 1.572 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CC1 73653677 351619982 /nfs/dbraw/zinc/61/99/82/351619982.db2.gz CBIAWVRUMWBSMT-SCZZXKLOSA-N 2 1 168.284 1.079 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CC1 73653677 351619985 /nfs/dbraw/zinc/61/99/85/351619985.db2.gz CBIAWVRUMWBSMT-SCZZXKLOSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 73655619 351620385 /nfs/dbraw/zinc/62/03/85/351620385.db2.gz OKEJJWHYIZSFLM-QWRGUYRKSA-N 2 1 184.327 1.715 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CC2)CC[N@@H+]1C 73655556 351620604 /nfs/dbraw/zinc/62/06/04/351620604.db2.gz JAWXGRYOSMCZIO-SCZZXKLOSA-N 2 1 168.284 1.221 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CC2)CC[N@H+]1C 73655556 351620609 /nfs/dbraw/zinc/62/06/09/351620609.db2.gz JAWXGRYOSMCZIO-SCZZXKLOSA-N 2 1 168.284 1.221 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 73655617 351620795 /nfs/dbraw/zinc/62/07/95/351620795.db2.gz OKEJJWHYIZSFLM-MNOVXSKESA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 73655616 351621238 /nfs/dbraw/zinc/62/12/38/351621238.db2.gz OKEJJWHYIZSFLM-WDEREUQCSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 73655613 351621335 /nfs/dbraw/zinc/62/13/35/351621335.db2.gz OKEJJWHYIZSFLM-GHMZBOCLSA-N 2 1 184.327 1.715 20 0 ADADMP CC(C)(C)CC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 78570895 351627481 /nfs/dbraw/zinc/62/74/81/351627481.db2.gz LZYOAWKVLKECFS-PHIMTYICSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)C[N@H+]1CCC2(CC[NH2+]CC2)C1 82531066 351639318 /nfs/dbraw/zinc/63/93/18/351639318.db2.gz MGTLZYDWTWQPCN-UHFFFAOYSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC2(CC[NH2+]CC2)C1 82531067 351639325 /nfs/dbraw/zinc/63/93/25/351639325.db2.gz ZCZRBYXRPYLJOV-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@H+]1CCCC[C@H]1CC[NH3+] 82594432 351640039 /nfs/dbraw/zinc/64/00/39/351640039.db2.gz JQYDOPKQWDWRJQ-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CC[N@H+]1CCCC[C@@H]1CC[NH3+] 82594429 351640533 /nfs/dbraw/zinc/64/05/33/351640533.db2.gz JQYDOPKQWDWRJQ-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP CC(C)C[N@H+]1CC[C@H](CC[NH3+])C1 82855328 351642235 /nfs/dbraw/zinc/64/22/35/351642235.db2.gz YWVARTONHFNDFV-JTQLQIEISA-N 2 1 170.300 1.313 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H](CC[NH3+])C1 82855329 351642301 /nfs/dbraw/zinc/64/23/01/351642301.db2.gz YWVARTONHFNDFV-SNVBAGLBSA-N 2 1 170.300 1.313 20 0 ADADMP C[NH2+][C@@H](C[NH+]1CCCCC1)C(C)C 87527761 351660154 /nfs/dbraw/zinc/66/01/54/351660154.db2.gz YSVRBEAADTYJNS-NSHDSACASA-N 2 1 184.327 1.716 20 0 ADADMP CC[NH+](CC)C[C@@H]([NH2+]C)C(C)C 87527454 351660168 /nfs/dbraw/zinc/66/01/68/351660168.db2.gz QCPYGCLQJCMNOG-SNVBAGLBSA-N 2 1 172.316 1.572 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1ccc(F)cc1 95936717 351677449 /nfs/dbraw/zinc/67/74/49/351677449.db2.gz ZSNOMEIZMNYZAA-UHFFFAOYSA-N 2 1 196.269 1.653 20 0 ADADMP CC(C)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 96215365 351679643 /nfs/dbraw/zinc/67/96/43/351679643.db2.gz IKCKJTJQBNDVCS-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 96215366 351679756 /nfs/dbraw/zinc/67/97/56/351679756.db2.gz IKCKJTJQBNDVCS-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 106868298 351717298 /nfs/dbraw/zinc/71/72/98/351717298.db2.gz HWSJFEIZZOIICO-NWDGAFQWSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 106868296 351717321 /nfs/dbraw/zinc/71/73/21/351717321.db2.gz HWSJFEIZZOIICO-VXGBXAGGSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 107936859 351720020 /nfs/dbraw/zinc/72/00/20/351720020.db2.gz KNIRJEXIADWFPS-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 107936862 351720041 /nfs/dbraw/zinc/72/00/41/351720041.db2.gz KNIRJEXIADWFPS-NXEZZACHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)C1CC[NH+](C[C@H](C)[NH3+])CC1 108297359 351720990 /nfs/dbraw/zinc/72/09/90/351720990.db2.gz GLUOCWGDUZGJQZ-JTQLQIEISA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C1CC[NH+](C[C@@H](C)[NH3+])CC1 108297356 351721058 /nfs/dbraw/zinc/72/10/58/351721058.db2.gz GLUOCWGDUZGJQZ-SNVBAGLBSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCCC1 122297551 351726700 /nfs/dbraw/zinc/72/67/00/351726700.db2.gz ULRTYTGABLVMIV-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCCC1 122297953 351726867 /nfs/dbraw/zinc/72/68/67/351726867.db2.gz ULRTYTGABLVMIV-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CCC1 122367939 351727537 /nfs/dbraw/zinc/72/75/37/351727537.db2.gz YWYDZYCTUZFBBX-KOLCDFICSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C 122315306 351727552 /nfs/dbraw/zinc/72/75/52/351727552.db2.gz PIACMHWZUONNKF-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CCC1 122367506 351727629 /nfs/dbraw/zinc/72/76/29/351727629.db2.gz YWYDZYCTUZFBBX-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 122315542 351727740 /nfs/dbraw/zinc/72/77/40/351727740.db2.gz PIACMHWZUONNKF-ZJUUUORDSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)C 122717841 351727937 /nfs/dbraw/zinc/72/79/37/351727937.db2.gz DTBFLKVIEBVIIE-MNOVXSKESA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC1 122716926 351728021 /nfs/dbraw/zinc/72/80/21/351728021.db2.gz KPTWSKJKDPLKBN-KOLCDFICSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 122315785 351728070 /nfs/dbraw/zinc/72/80/70/351728070.db2.gz PIACMHWZUONNKF-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1SCC[N@@H+](CCC[NH3+])[C@@H]1C 123771656 351728469 /nfs/dbraw/zinc/72/84/69/351728469.db2.gz SQOANSDQPDVDRA-BDAKNGLRSA-N 2 1 188.340 1.161 20 0 ADADMP C[C@@H]1SCC[N@@H+](CCC[NH3+])[C@H]1C 123771895 351728984 /nfs/dbraw/zinc/72/89/84/351728984.db2.gz SQOANSDQPDVDRA-IUCAKERBSA-N 2 1 188.340 1.161 20 0 ADADMP CC(C)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 128420161 351733855 /nfs/dbraw/zinc/73/38/55/351733855.db2.gz OWFYKZIEKRXLPP-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 128420161 351733859 /nfs/dbraw/zinc/73/38/59/351733859.db2.gz OWFYKZIEKRXLPP-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 128269612 351734197 /nfs/dbraw/zinc/73/41/97/351734197.db2.gz HXKXTCANCTVKCW-MNOVXSKESA-N 2 1 182.311 1.469 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 128269612 351734200 /nfs/dbraw/zinc/73/42/00/351734200.db2.gz HXKXTCANCTVKCW-MNOVXSKESA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 130765921 351736088 /nfs/dbraw/zinc/73/60/88/351736088.db2.gz MNFIPDFEZQSIKU-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 130765921 351736092 /nfs/dbraw/zinc/73/60/92/351736092.db2.gz MNFIPDFEZQSIKU-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133263073 351737853 /nfs/dbraw/zinc/73/78/53/351737853.db2.gz BFKGHWPLTHLELW-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 133263073 351737856 /nfs/dbraw/zinc/73/78/56/351737856.db2.gz BFKGHWPLTHLELW-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CCC2)CC[N@@H+]1C 156083118 351749697 /nfs/dbraw/zinc/74/96/97/351749697.db2.gz UHLXQEQVXGABIE-KOLCDFICSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]C2CCC2)CC[N@H+]1C 156083118 351749704 /nfs/dbraw/zinc/74/97/04/351749704.db2.gz UHLXQEQVXGABIE-KOLCDFICSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CCC2)CC[N@@H+]1C 156082862 351749904 /nfs/dbraw/zinc/74/99/04/351749904.db2.gz UHLXQEQVXGABIE-MWLCHTKSSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]C2CCC2)CC[N@H+]1C 156082862 351749908 /nfs/dbraw/zinc/74/99/08/351749908.db2.gz UHLXQEQVXGABIE-MWLCHTKSSA-N 2 1 182.311 1.611 20 0 ADADMP C1CC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 156083375 351750082 /nfs/dbraw/zinc/75/00/82/351750082.db2.gz NNJGFYLYRLLXED-VXGBXAGGSA-N 2 1 194.322 1.755 20 0 ADADMP C1CC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 156083498 351750146 /nfs/dbraw/zinc/75/01/46/351750146.db2.gz NNJGFYLYRLLXED-NWDGAFQWSA-N 2 1 194.322 1.755 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CCC2)CC[N@@H+]1C 156082982 351750160 /nfs/dbraw/zinc/75/01/60/351750160.db2.gz UHLXQEQVXGABIE-GXSJLCMTSA-N 2 1 182.311 1.611 20 0 ADADMP C[C@H]1C[C@H]([NH2+]C2CCC2)CC[N@H+]1C 156082982 351750161 /nfs/dbraw/zinc/75/01/61/351750161.db2.gz UHLXQEQVXGABIE-GXSJLCMTSA-N 2 1 182.311 1.611 20 0 ADADMP C[N@H+](CC[NH3+])CCCC1CCCC1 162898286 351761237 /nfs/dbraw/zinc/76/12/37/351761237.db2.gz USKGTSQKNAXVCG-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP C[N@@H+](CC[NH3+])CCCC1CCCC1 162898286 351761241 /nfs/dbraw/zinc/76/12/41/351761241.db2.gz USKGTSQKNAXVCG-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP C[N@H+](CC[NH3+])CCC1CCCC1 162895807 351761615 /nfs/dbraw/zinc/76/16/15/351761615.db2.gz YAIVUPKORVHHLF-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP C[N@@H+](CC[NH3+])CCC1CCCC1 162895807 351761618 /nfs/dbraw/zinc/76/16/18/351761618.db2.gz YAIVUPKORVHHLF-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCC1 164161312 351762959 /nfs/dbraw/zinc/76/29/59/351762959.db2.gz PFAZKHZDNWKDRW-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCC1 164161432 351763047 /nfs/dbraw/zinc/76/30/47/351763047.db2.gz PFAZKHZDNWKDRW-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH3+] 164019718 351763069 /nfs/dbraw/zinc/76/30/69/351763069.db2.gz DRYPVOXMIYWYPM-RKDXNWHRSA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+]CC[NH3+] 164019841 351763484 /nfs/dbraw/zinc/76/34/84/351763484.db2.gz DRYPVOXMIYWYPM-DTWKUNHWSA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH3+] 164019488 351763660 /nfs/dbraw/zinc/76/36/60/351763660.db2.gz DRYPVOXMIYWYPM-BDAKNGLRSA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH3+] 164019607 351763719 /nfs/dbraw/zinc/76/37/19/351763719.db2.gz DRYPVOXMIYWYPM-IUCAKERBSA-N 2 1 156.273 1.113 20 0 ADADMP CCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 164648874 351765951 /nfs/dbraw/zinc/76/59/51/351765951.db2.gz WHBLCWGRSDQDBK-WDEREUQCSA-N 2 1 184.327 1.703 20 0 ADADMP CCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 164648986 351765974 /nfs/dbraw/zinc/76/59/74/351765974.db2.gz WHBLCWGRSDQDBK-GHMZBOCLSA-N 2 1 184.327 1.703 20 0 ADADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC1 203305405 351782994 /nfs/dbraw/zinc/78/29/94/351782994.db2.gz NXSUGRAUEJOWAX-NSHDSACASA-N 2 1 182.311 1.567 20 0 ADADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC1 203305397 351783031 /nfs/dbraw/zinc/78/30/31/351783031.db2.gz NXSUGRAUEJOWAX-LLVKDONJSA-N 2 1 182.311 1.567 20 0 ADADMP C1C[NH2+][C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 219792846 351790986 /nfs/dbraw/zinc/79/09/86/351790986.db2.gz RLPGSHYWRQUEOW-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219749954 351791209 /nfs/dbraw/zinc/79/12/09/351791209.db2.gz PLNQBNGNQDUBDJ-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CC[N@@H+](CC(C)(C)N)C[C@@H]1C 220374670 351792563 /nfs/dbraw/zinc/79/25/63/351792563.db2.gz MWRZDQAHBHDBPW-ZJUUUORDSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CCN(CC(C)(C)[NH3+])C[C@@H]1C 220374670 351792565 /nfs/dbraw/zinc/79/25/65/351792565.db2.gz MWRZDQAHBHDBPW-ZJUUUORDSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H]1CC[N@@H+](CC(C)(C)N)C[C@@H]1C 220374754 351792824 /nfs/dbraw/zinc/79/28/24/351792824.db2.gz MWRZDQAHBHDBPW-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H]1CCN(CC(C)(C)[NH3+])C[C@@H]1C 220374754 351792827 /nfs/dbraw/zinc/79/28/27/351792827.db2.gz MWRZDQAHBHDBPW-UWVGGRQHSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@H]21 228029434 351804263 /nfs/dbraw/zinc/80/42/63/351804263.db2.gz QSAVTBNAAMJEAY-GHMZBOCLSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]2CCC[C@H]21 228029434 351804265 /nfs/dbraw/zinc/80/42/65/351804265.db2.gz QSAVTBNAAMJEAY-GHMZBOCLSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 228029419 351804494 /nfs/dbraw/zinc/80/44/94/351804494.db2.gz QSAVTBNAAMJEAY-WDEREUQCSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 228029419 351804495 /nfs/dbraw/zinc/80/44/95/351804495.db2.gz QSAVTBNAAMJEAY-WDEREUQCSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C 228275943 351805158 /nfs/dbraw/zinc/80/51/58/351805158.db2.gz XPYIPYIULBNHSD-WDEREUQCSA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C 228275943 351805161 /nfs/dbraw/zinc/80/51/61/351805161.db2.gz XPYIPYIULBNHSD-WDEREUQCSA-N 2 1 184.327 1.713 20 0 ADADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH3+] 235301761 351815763 /nfs/dbraw/zinc/81/57/63/351815763.db2.gz HDWQCEUEFGVLCB-RKDXNWHRSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCC2)CC[NH2+]1 235378681 351815811 /nfs/dbraw/zinc/81/58/11/351815811.db2.gz JFEOKLFMPWMNID-MNOVXSKESA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1[NH3+] 235356181 351815846 /nfs/dbraw/zinc/81/58/46/351815846.db2.gz VMRDEZNODQHRFU-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH3+] 235293275 351815931 /nfs/dbraw/zinc/81/59/31/351815931.db2.gz HDWQCEUEFGVLCB-BDAKNGLRSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCC2)CC[NH2+]1 235364280 351815944 /nfs/dbraw/zinc/81/59/44/351815944.db2.gz JFEOKLFMPWMNID-GHMZBOCLSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 242522221 351827420 /nfs/dbraw/zinc/82/74/20/351827420.db2.gz IMRISIRTRUCIJC-RKDXNWHRSA-N 2 1 156.273 1.208 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 242522220 351827698 /nfs/dbraw/zinc/82/76/98/351827698.db2.gz IMRISIRTRUCIJC-BDAKNGLRSA-N 2 1 156.273 1.208 20 0 ADADMP C1CCC(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 248334394 351830867 /nfs/dbraw/zinc/83/08/67/351830867.db2.gz LIHBBLKYWQHWFG-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 248263306 351830895 /nfs/dbraw/zinc/83/08/95/351830895.db2.gz NGHIQYJXJVTYDP-MNOVXSKESA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 248263306 351830900 /nfs/dbraw/zinc/83/09/00/351830900.db2.gz NGHIQYJXJVTYDP-MNOVXSKESA-N 2 1 182.311 1.326 20 0 ADADMP CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 250001953 351831334 /nfs/dbraw/zinc/83/13/34/351831334.db2.gz OWLMGWMDIFEVRF-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 250064235 351831350 /nfs/dbraw/zinc/83/13/50/351831350.db2.gz YAPUYXNNUOFLIN-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 250064231 351831417 /nfs/dbraw/zinc/83/14/17/351831417.db2.gz YAPUYXNNUOFLIN-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 250395396 351832210 /nfs/dbraw/zinc/83/22/10/351832210.db2.gz YOCWDKFYEAIGBL-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 250395398 351832279 /nfs/dbraw/zinc/83/22/79/351832279.db2.gz YOCWDKFYEAIGBL-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 250590618 351832735 /nfs/dbraw/zinc/83/27/35/351832735.db2.gz KNIRJEXIADWFPS-UWVGGRQHSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 250590619 351832744 /nfs/dbraw/zinc/83/27/44/351832744.db2.gz KNIRJEXIADWFPS-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 251608098 351835306 /nfs/dbraw/zinc/83/53/06/351835306.db2.gz GSJYSVAOMSOCPQ-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1C[N@@H+](CC2CC2)CC[C@H]1[NH3+] 251573691 351835319 /nfs/dbraw/zinc/83/53/19/351835319.db2.gz CCROAPGDWTVMOX-WCBMZHEXSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251681451 351835336 /nfs/dbraw/zinc/83/53/36/351835336.db2.gz HVWAXJHBNCJGAE-NXEZZACHSA-N 2 1 170.300 1.312 20 0 ADADMP CC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 251629490 351835361 /nfs/dbraw/zinc/83/53/61/351835361.db2.gz FJSZQMMVGDHUAE-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 251661958 351835405 /nfs/dbraw/zinc/83/54/05/351835405.db2.gz HBQVBIPKJCMHEJ-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1[NH3+] 251573684 351835414 /nfs/dbraw/zinc/83/54/14/351835414.db2.gz CCROAPGDWTVMOX-PSASIEDQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 251686463 351835545 /nfs/dbraw/zinc/83/55/45/351835545.db2.gz MVRCEZDUFJIWBW-MNOVXSKESA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 251608097 351835556 /nfs/dbraw/zinc/83/55/56/351835556.db2.gz GSJYSVAOMSOCPQ-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 251629496 351835651 /nfs/dbraw/zinc/83/56/51/351835651.db2.gz FJSZQMMVGDHUAE-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 251661954 351835662 /nfs/dbraw/zinc/83/56/62/351835662.db2.gz HBQVBIPKJCMHEJ-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[N@@H+](CCCF)CC[C@H]1[NH3+] 251764709 351836323 /nfs/dbraw/zinc/83/63/23/351836323.db2.gz MAXXCQSDTSBCFA-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@H]1C[N@@H+](CCCF)CC[C@H]1[NH3+] 251764707 351836436 /nfs/dbraw/zinc/83/64/36/351836436.db2.gz MAXXCQSDTSBCFA-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 251829956 351836456 /nfs/dbraw/zinc/83/64/56/351836456.db2.gz PLNQBNGNQDUBDJ-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251741831 351836583 /nfs/dbraw/zinc/83/65/83/351836583.db2.gz RJVDAAQNEBJGEB-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 251741830 351836651 /nfs/dbraw/zinc/83/66/51/351836651.db2.gz RJVDAAQNEBJGEB-GHMZBOCLSA-N 2 1 182.311 1.328 20 0 ADADMP C[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 252118789 351837080 /nfs/dbraw/zinc/83/70/80/351837080.db2.gz IZUDMTCOFZOVFK-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CCC[N@@H+](CCC[NH3+])[C@H]1C 252111013 351837089 /nfs/dbraw/zinc/83/70/89/351837089.db2.gz HTNLWEMPQBLJFA-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1[C@H](C)CCC[N@H+]1CCC[NH3+] 252111015 351837125 /nfs/dbraw/zinc/83/71/25/351837125.db2.gz HTNLWEMPQBLJFA-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+]CC[NH3+] 252133624 351837183 /nfs/dbraw/zinc/83/71/83/351837183.db2.gz LELQSKPWCIRQKI-MYJAWHEDSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 252213459 351837216 /nfs/dbraw/zinc/83/72/16/351837216.db2.gz WZQOZRZLKXBWPR-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 252096842 351837282 /nfs/dbraw/zinc/83/72/82/351837282.db2.gz FPDYLJXXAIPOKY-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1C[N@@H+](CC2CCCC2)CC[C@H]1[NH3+] 251919480 351837344 /nfs/dbraw/zinc/83/73/44/351837344.db2.gz XVZBRRXQEHYWAD-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCCC2)CC[C@H]1[NH3+] 251919483 351837363 /nfs/dbraw/zinc/83/73/63/351837363.db2.gz XVZBRRXQEHYWAD-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 252092887 351837399 /nfs/dbraw/zinc/83/73/99/351837399.db2.gz DYIGXFKJBRPINY-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 252118791 351837456 /nfs/dbraw/zinc/83/74/56/351837456.db2.gz IZUDMTCOFZOVFK-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1C[C@@H](C)C[C@H]([NH2+]CC[NH3+])C1 252104692 351837472 /nfs/dbraw/zinc/83/74/72/351837472.db2.gz IUAUVCLJWNVHLH-MYJAWHEDSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 252213458 351837478 /nfs/dbraw/zinc/83/74/78/351837478.db2.gz WZQOZRZLKXBWPR-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 252096843 351837544 /nfs/dbraw/zinc/83/75/44/351837544.db2.gz FPDYLJXXAIPOKY-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 252220433 351837744 /nfs/dbraw/zinc/83/77/44/351837744.db2.gz YWPPMDPWTSYSBW-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 252220434 351837907 /nfs/dbraw/zinc/83/79/07/351837907.db2.gz YWPPMDPWTSYSBW-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCCC1 252709372 351841656 /nfs/dbraw/zinc/84/16/56/351841656.db2.gz CSSSCJQRFAMGPR-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCCC1 252709372 351841660 /nfs/dbraw/zinc/84/16/60/351841660.db2.gz CSSSCJQRFAMGPR-ZYHUDNBSSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 252696683 351841731 /nfs/dbraw/zinc/84/17/31/351841731.db2.gz BUVQUKHHEPZITI-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCCC1 252709371 351841904 /nfs/dbraw/zinc/84/19/04/351841904.db2.gz CSSSCJQRFAMGPR-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCCC1 252709371 351841905 /nfs/dbraw/zinc/84/19/05/351841905.db2.gz CSSSCJQRFAMGPR-CMPLNLGQSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 252673249 351841922 /nfs/dbraw/zinc/84/19/22/351841922.db2.gz HWSJFEIZZOIICO-RYUDHWBXSA-N 2 1 196.338 1.859 20 0 ADADMP CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C 252696682 351842029 /nfs/dbraw/zinc/84/20/29/351842029.db2.gz BUVQUKHHEPZITI-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP CC(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 252673248 351842116 /nfs/dbraw/zinc/84/21/16/351842116.db2.gz HWSJFEIZZOIICO-NEPJUHHUSA-N 2 1 196.338 1.859 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)C1 252730290 351842391 /nfs/dbraw/zinc/84/23/91/351842391.db2.gz KQTZFVQHHUHFST-RUJICJSRSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)C1 252730290 351842396 /nfs/dbraw/zinc/84/23/96/351842396.db2.gz KQTZFVQHHUHFST-RUJICJSRSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)C1 252730289 351842420 /nfs/dbraw/zinc/84/24/20/351842420.db2.gz KQTZFVQHHUHFST-RSJDFQLWSA-N 2 1 196.338 1.715 20 0 ADADMP CC1CC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)C1 252730289 351842423 /nfs/dbraw/zinc/84/24/23/351842423.db2.gz KQTZFVQHHUHFST-RSJDFQLWSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC1 252730042 351842523 /nfs/dbraw/zinc/84/25/23/351842523.db2.gz JNGUUSHXGRCEOU-GXSJLCMTSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC1 252730042 351842528 /nfs/dbraw/zinc/84/25/28/351842528.db2.gz JNGUUSHXGRCEOU-GXSJLCMTSA-N 2 1 182.311 1.469 20 0 ADADMP CC(C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C 252752567 351842611 /nfs/dbraw/zinc/84/26/11/351842611.db2.gz XPYIPYIULBNHSD-GHMZBOCLSA-N 2 1 184.327 1.713 20 0 ADADMP CC(C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C 252752567 351842616 /nfs/dbraw/zinc/84/26/16/351842616.db2.gz XPYIPYIULBNHSD-GHMZBOCLSA-N 2 1 184.327 1.713 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC1 252714314 351842631 /nfs/dbraw/zinc/84/26/31/351842631.db2.gz RQQAZFVMHCYUAT-CMPLNLGQSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC1 252730043 351842755 /nfs/dbraw/zinc/84/27/55/351842755.db2.gz JNGUUSHXGRCEOU-MWLCHTKSSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC1 252730043 351842758 /nfs/dbraw/zinc/84/27/58/351842758.db2.gz JNGUUSHXGRCEOU-MWLCHTKSSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC1 252714315 351842796 /nfs/dbraw/zinc/84/27/96/351842796.db2.gz RQQAZFVMHCYUAT-ZYHUDNBSSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 252786491 351842988 /nfs/dbraw/zinc/84/29/88/351842988.db2.gz VOIDXZSRGAPIDV-IUCAKERBSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C 252889515 351843477 /nfs/dbraw/zinc/84/34/77/351843477.db2.gz DTBFLKVIEBVIIE-GHMZBOCLSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)C 252889516 351843496 /nfs/dbraw/zinc/84/34/96/351843496.db2.gz DTBFLKVIEBVIIE-WDEREUQCSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC1 252891455 351843757 /nfs/dbraw/zinc/84/37/57/351843757.db2.gz KPTWSKJKDPLKBN-MWLCHTKSSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC1 252891453 351843828 /nfs/dbraw/zinc/84/38/28/351843828.db2.gz KPTWSKJKDPLKBN-GXSJLCMTSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1C[N@H+](CCC[NH3+])CC[C@H]1C 253080240 351844504 /nfs/dbraw/zinc/84/45/04/351844504.db2.gz VHJYFVIAWPFZFU-NXEZZACHSA-N 2 1 170.300 1.313 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1C[NH3+] 253177391 351844688 /nfs/dbraw/zinc/84/46/88/351844688.db2.gz AWNSMWCJMSQRFA-CMPLNLGQSA-N 2 1 196.338 1.703 20 0 ADADMP CC(C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253184457 351844714 /nfs/dbraw/zinc/84/47/14/351844714.db2.gz HKZKKKYKHLXWEM-NXEZZACHSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@H]1CC[N@@H+](CC2CC2)C[C@H]1C[NH3+] 253177099 351844744 /nfs/dbraw/zinc/84/47/44/351844744.db2.gz ARGFZDALFCWLTN-GXSJLCMTSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1C[NH3+] 253177392 351844756 /nfs/dbraw/zinc/84/47/56/351844756.db2.gz AWNSMWCJMSQRFA-ZYHUDNBSSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1C[NH3+] 253177100 351844804 /nfs/dbraw/zinc/84/48/04/351844804.db2.gz ARGFZDALFCWLTN-MWLCHTKSSA-N 2 1 182.311 1.313 20 0 ADADMP CC(C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253184458 351844856 /nfs/dbraw/zinc/84/48/56/351844856.db2.gz HKZKKKYKHLXWEM-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 253202677 351845240 /nfs/dbraw/zinc/84/52/40/351845240.db2.gz DBOPDWHZXWABLL-WDEREUQCSA-N 2 1 184.327 1.559 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 253202675 351845423 /nfs/dbraw/zinc/84/54/23/351845423.db2.gz DBOPDWHZXWABLL-GHMZBOCLSA-N 2 1 184.327 1.559 20 0 ADADMP C[N@@H+]1CC=C(C[NH2+]C2CCCC2)CC1 257942870 351855371 /nfs/dbraw/zinc/85/53/71/351855371.db2.gz DRFSZBNGZPXMNF-UHFFFAOYSA-N 2 1 194.322 1.781 20 0 ADADMP F[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 259602451 351876691 /nfs/dbraw/zinc/87/66/91/351876691.db2.gz DDOXJOLTMHKNOX-ZJUUUORDSA-N 2 1 186.274 1.030 20 0 ADADMP F[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 259602451 351876693 /nfs/dbraw/zinc/87/66/93/351876693.db2.gz DDOXJOLTMHKNOX-ZJUUUORDSA-N 2 1 186.274 1.030 20 0 ADADMP C[NH2+]CCC[NH+]1CCC(F)(F)CC1 259693383 351878501 /nfs/dbraw/zinc/87/85/01/351878501.db2.gz JYHSTFUQXDPAAW-UHFFFAOYSA-N 2 1 192.253 1.327 20 0 ADADMP [NH3+]CCC[N@H+]1CCCC(F)(F)CC1 259793756 351879511 /nfs/dbraw/zinc/87/95/11/351879511.db2.gz RKGPQPHVFFGFDP-UHFFFAOYSA-N 2 1 192.253 1.456 20 0 ADADMP CC(C)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894614 351894004 /nfs/dbraw/zinc/89/40/04/351894004.db2.gz YHLGRYUUHDOSJZ-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894614 351894010 /nfs/dbraw/zinc/89/40/10/351894010.db2.gz YHLGRYUUHDOSJZ-WDEREUQCSA-N 2 1 182.311 1.326 20 0 ADADMP CCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894717 351894064 /nfs/dbraw/zinc/89/40/64/351894064.db2.gz ZNZCJDQBXSNGQP-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299894717 351894068 /nfs/dbraw/zinc/89/40/68/351894068.db2.gz ZNZCJDQBXSNGQP-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892733 351894351 /nfs/dbraw/zinc/89/43/51/351894351.db2.gz CRMNRHPVQUYXQZ-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 299892733 351894352 /nfs/dbraw/zinc/89/43/52/351894352.db2.gz CRMNRHPVQUYXQZ-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300046969 351894918 /nfs/dbraw/zinc/89/49/18/351894918.db2.gz BMXGQBNZKQIZNE-NXEZZACHSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1[NH3+] 300049928 351895101 /nfs/dbraw/zinc/89/51/01/351895101.db2.gz VMRDEZNODQHRFU-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C1C[C@H]2C[NH2+]C[C@H]2[N@H+](CC2CC2)C1 299985821 351895110 /nfs/dbraw/zinc/89/51/10/351895110.db2.gz LHTBPLUREGPVRU-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[C@H]2C[NH2+]C[C@H]2[N@@H+](CC2CC2)C1 299985821 351895111 /nfs/dbraw/zinc/89/51/11/351895111.db2.gz LHTBPLUREGPVRU-WDEREUQCSA-N 2 1 180.295 1.080 20 0 ADADMP CC(C)CC[N@H+]1C[C@H](C)[C@H]([NH3+])C1 300046970 351895135 /nfs/dbraw/zinc/89/51/35/351895135.db2.gz BMXGQBNZKQIZNE-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1[NH3+] 300050126 351895152 /nfs/dbraw/zinc/89/51/52/351895152.db2.gz XJYRTBKXYDPYQL-PSASIEDQSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1[NH3+] 300049996 351895169 /nfs/dbraw/zinc/89/51/69/351895169.db2.gz WFNIMBXNGLQLBR-NXEZZACHSA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1[NH3+] 300049414 351895195 /nfs/dbraw/zinc/89/51/95/351895195.db2.gz RNMZRCMRGDEUIE-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C 300333660 351895542 /nfs/dbraw/zinc/89/55/42/351895542.db2.gz QJUCAOCYDCTGPA-NEPJUHHUSA-N 2 1 196.338 1.882 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 300352345 351895595 /nfs/dbraw/zinc/89/55/95/351895595.db2.gz KRYROYDFQPZTEF-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C 300333661 351895667 /nfs/dbraw/zinc/89/56/67/351895667.db2.gz QJUCAOCYDCTGPA-VXGBXAGGSA-N 2 1 196.338 1.882 20 0 ADADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@@H]1[NH3+] 300744055 351896679 /nfs/dbraw/zinc/89/66/79/351896679.db2.gz JAFNMTLRISOJBA-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[N@@H+](CCC2CCCC2)C[C@H]1[NH3+] 300744057 351896722 /nfs/dbraw/zinc/89/67/22/351896722.db2.gz JAFNMTLRISOJBA-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(C)CC1 306148356 351899554 /nfs/dbraw/zinc/89/95/54/351899554.db2.gz BAYDTNJZXXFJCX-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(C)CC1 306148355 351899980 /nfs/dbraw/zinc/89/99/80/351899980.db2.gz BAYDTNJZXXFJCX-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[C@@H]([NH2+]CC[NH3+])c2ccccc21 306191483 351905902 /nfs/dbraw/zinc/90/59/02/351905902.db2.gz OYXXMWNWDGGAPW-BXKDBHETSA-N 2 1 190.290 1.783 20 0 ADADMP C[C@@H]1C[C@H]([NH2+]CC[NH3+])c2ccccc21 306191488 351905977 /nfs/dbraw/zinc/90/59/77/351905977.db2.gz OYXXMWNWDGGAPW-SKDRFNHKSA-N 2 1 190.290 1.783 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306236698 351911077 /nfs/dbraw/zinc/91/10/77/351911077.db2.gz OWGVDXWRQJIGBB-MNOVXSKESA-N 2 1 182.311 1.184 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306236700 351911253 /nfs/dbraw/zinc/91/12/53/351911253.db2.gz OWGVDXWRQJIGBB-QWRGUYRKSA-N 2 1 182.311 1.184 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306236696 351911265 /nfs/dbraw/zinc/91/12/65/351911265.db2.gz OWGVDXWRQJIGBB-GHMZBOCLSA-N 2 1 182.311 1.184 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306236702 351911356 /nfs/dbraw/zinc/91/13/56/351911356.db2.gz OWGVDXWRQJIGBB-WDEREUQCSA-N 2 1 182.311 1.184 20 0 ADADMP CCc1nc(NC[C@@H](C)[NH3+])cc(C)[nH+]1 306405488 351926135 /nfs/dbraw/zinc/92/61/35/351926135.db2.gz AOXIQKUSPAACMC-SSDOTTSWSA-N 2 1 194.282 1.107 20 0 ADADMP CCc1nc(NC[C@H](C)[NH3+])cc(C)[nH+]1 306405489 351926212 /nfs/dbraw/zinc/92/62/12/351926212.db2.gz AOXIQKUSPAACMC-ZETCQYMHSA-N 2 1 194.282 1.107 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 306433285 351928871 /nfs/dbraw/zinc/92/88/71/351928871.db2.gz WLEPGEBDHUCCAG-PHIMTYICSA-N 2 1 182.311 1.136 20 0 ADADMP CC(C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 306433285 351928873 /nfs/dbraw/zinc/92/88/73/351928873.db2.gz WLEPGEBDHUCCAG-PHIMTYICSA-N 2 1 182.311 1.136 20 0 ADADMP CC(C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 306433285 351928877 /nfs/dbraw/zinc/92/88/77/351928877.db2.gz WLEPGEBDHUCCAG-PHIMTYICSA-N 2 1 182.311 1.136 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCC[C@@H]21 306472801 351934690 /nfs/dbraw/zinc/93/46/90/351934690.db2.gz SXTJOQVZYFYLFG-ZJUUUORDSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCC[C@H]21 306472797 351934816 /nfs/dbraw/zinc/93/48/16/351934816.db2.gz SXTJOQVZYFYLFG-VHSXEESVSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2CCC[C@H]21 306472334 351934827 /nfs/dbraw/zinc/93/48/27/351934827.db2.gz SXTJOQVZYFYLFG-NXEZZACHSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2CCC[C@@H]21 306472792 351934857 /nfs/dbraw/zinc/93/48/57/351934857.db2.gz SXTJOQVZYFYLFG-UWVGGRQHSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)[C@@H]1C 306531473 351942240 /nfs/dbraw/zinc/94/22/40/351942240.db2.gz APKDEUDEZSVUCQ-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CCSCC[N@H+]1CCC[NH3+] 306643553 351953010 /nfs/dbraw/zinc/95/30/10/351953010.db2.gz XAKWKPAUVJRROA-SECBINFHSA-N 2 1 188.340 1.163 20 0 ADADMP CC(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C 306664167 351954628 /nfs/dbraw/zinc/95/46/28/351954628.db2.gz WPKDDVBZLUWSIR-ZJUUUORDSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C 306664166 351954641 /nfs/dbraw/zinc/95/46/41/351954641.db2.gz WPKDDVBZLUWSIR-VHSXEESVSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C 306664165 351954673 /nfs/dbraw/zinc/95/46/73/351954673.db2.gz WPKDDVBZLUWSIR-UWVGGRQHSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C 306664164 351954721 /nfs/dbraw/zinc/95/47/21/351954721.db2.gz WPKDDVBZLUWSIR-NXEZZACHSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 306684970 351955155 /nfs/dbraw/zinc/95/51/55/351955155.db2.gz DNBHCWMSZRQCFP-NEPJUHHUSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 306684972 351955220 /nfs/dbraw/zinc/95/52/20/351955220.db2.gz DNBHCWMSZRQCFP-RYUDHWBXSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 306684971 351955385 /nfs/dbraw/zinc/95/53/85/351955385.db2.gz DNBHCWMSZRQCFP-NWDGAFQWSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 306684973 351955432 /nfs/dbraw/zinc/95/54/32/351955432.db2.gz DNBHCWMSZRQCFP-VXGBXAGGSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCCC1 306848104 351968614 /nfs/dbraw/zinc/96/86/14/351968614.db2.gz MDGPIXQHXSWPGW-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCCC1 306848105 351968723 /nfs/dbraw/zinc/96/87/23/351968723.db2.gz MDGPIXQHXSWPGW-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCC1 306862020 351969789 /nfs/dbraw/zinc/96/97/89/351969789.db2.gz HUKJJPPNWPGVFE-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCC1 306862020 351969793 /nfs/dbraw/zinc/96/97/93/351969793.db2.gz HUKJJPPNWPGVFE-ONGXEEELSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCC1 306862016 351969871 /nfs/dbraw/zinc/96/98/71/351969871.db2.gz HUKJJPPNWPGVFE-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCC1 306862016 351969873 /nfs/dbraw/zinc/96/98/73/351969873.db2.gz HUKJJPPNWPGVFE-GXSJLCMTSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCC1 306862017 351969975 /nfs/dbraw/zinc/96/99/75/351969975.db2.gz HUKJJPPNWPGVFE-KOLCDFICSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCC1 306862017 351969976 /nfs/dbraw/zinc/96/99/76/351969976.db2.gz HUKJJPPNWPGVFE-KOLCDFICSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCC1 306862019 351970018 /nfs/dbraw/zinc/97/00/18/351970018.db2.gz HUKJJPPNWPGVFE-MWLCHTKSSA-N 2 1 182.311 1.598 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCC1 306862019 351970021 /nfs/dbraw/zinc/97/00/21/351970021.db2.gz HUKJJPPNWPGVFE-MWLCHTKSSA-N 2 1 182.311 1.598 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](C2CC2)C1 306886704 351971648 /nfs/dbraw/zinc/97/16/48/351971648.db2.gz PTKMYVHUJAIJOM-SNVBAGLBSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H](C2CC2)C1 306886703 351971755 /nfs/dbraw/zinc/97/17/55/351971755.db2.gz PTKMYVHUJAIJOM-JTQLQIEISA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCCC1 307004164 351980776 /nfs/dbraw/zinc/98/07/76/351980776.db2.gz JJRFJFTXYSRYCR-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCCC1 307004160 351980881 /nfs/dbraw/zinc/98/08/81/351980881.db2.gz JJRFJFTXYSRYCR-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CC1 307013441 351981149 /nfs/dbraw/zinc/98/11/49/351981149.db2.gz NTKBYIFFYBQNQW-WPRPVWTQSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CC1 307013439 351981213 /nfs/dbraw/zinc/98/12/13/351981213.db2.gz NTKBYIFFYBQNQW-WCBMZHEXSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1CCCCC1 307158928 351991258 /nfs/dbraw/zinc/99/12/58/351991258.db2.gz TZCUWYDYADAAIM-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CC1CCCCC1 307158927 351991315 /nfs/dbraw/zinc/99/13/15/351991315.db2.gz TZCUWYDYADAAIM-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1CCC(C)(C)C 307258651 351998778 /nfs/dbraw/zinc/99/87/78/351998778.db2.gz CHIGFGYUUWQJIS-ZJUUUORDSA-N 2 1 184.327 1.844 20 0 ADADMP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CCC(C)(C)C 307258648 351998936 /nfs/dbraw/zinc/99/89/36/351998936.db2.gz CHIGFGYUUWQJIS-NXEZZACHSA-N 2 1 184.327 1.844 20 0 ADADMP CC(C)([NH3+])C[N@H+]1C[C@H]2CCCC[C@H]2C1 307351884 352005734 /nfs/dbraw/zinc/00/57/34/352005734.db2.gz ZZSAWTXETXZXRV-PHIMTYICSA-N 2 1 196.338 1.846 20 0 ADADMP CC(C)CC[N@@H+]1C[C@H]([NH3+])C[C@H]1C 307386164 352009091 /nfs/dbraw/zinc/00/90/91/352009091.db2.gz LIEAOSKOSHNQIB-NXEZZACHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@H+]1C[C@H]([NH3+])C[C@H]1C 307386164 352009095 /nfs/dbraw/zinc/00/90/95/352009095.db2.gz LIEAOSKOSHNQIB-NXEZZACHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)([NH3+])C[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 307388934 352009172 /nfs/dbraw/zinc/00/91/72/352009172.db2.gz PGJXNTODAZGCSY-DTORHVGOSA-N 2 1 182.311 1.312 20 0 ADADMP CC(C)CC[N@@H+]1C[C@H]([NH3+])C[C@@H]1C 307386166 352009189 /nfs/dbraw/zinc/00/91/89/352009189.db2.gz LIEAOSKOSHNQIB-VHSXEESVSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@H+]1C[C@H]([NH3+])C[C@@H]1C 307386166 352009191 /nfs/dbraw/zinc/00/91/91/352009191.db2.gz LIEAOSKOSHNQIB-VHSXEESVSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C 307386165 352009199 /nfs/dbraw/zinc/00/91/99/352009199.db2.gz LIEAOSKOSHNQIB-UWVGGRQHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]([NH3+])C[C@@H]1C 307386165 352009200 /nfs/dbraw/zinc/00/92/00/352009200.db2.gz LIEAOSKOSHNQIB-UWVGGRQHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C 307386168 352009312 /nfs/dbraw/zinc/00/93/12/352009312.db2.gz LIEAOSKOSHNQIB-ZJUUUORDSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]([NH3+])C[C@H]1C 307386168 352009315 /nfs/dbraw/zinc/00/93/15/352009315.db2.gz LIEAOSKOSHNQIB-ZJUUUORDSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307396083 352009709 /nfs/dbraw/zinc/00/97/09/352009709.db2.gz OGKQYYOUTSNCKR-SRVKXCTJSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307396083 352009714 /nfs/dbraw/zinc/00/97/14/352009714.db2.gz OGKQYYOUTSNCKR-SRVKXCTJSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307396081 352009790 /nfs/dbraw/zinc/00/97/90/352009790.db2.gz OGKQYYOUTSNCKR-QJPTWQEYSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307396081 352009795 /nfs/dbraw/zinc/00/97/95/352009795.db2.gz OGKQYYOUTSNCKR-QJPTWQEYSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307396084 352009867 /nfs/dbraw/zinc/00/98/67/352009867.db2.gz OGKQYYOUTSNCKR-TUAOUCFPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307396084 352009871 /nfs/dbraw/zinc/00/98/71/352009871.db2.gz OGKQYYOUTSNCKR-TUAOUCFPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307396082 352009905 /nfs/dbraw/zinc/00/99/05/352009905.db2.gz OGKQYYOUTSNCKR-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307396082 352009908 /nfs/dbraw/zinc/00/99/08/352009908.db2.gz OGKQYYOUTSNCKR-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(C)CCC1 307406967 352010203 /nfs/dbraw/zinc/01/02/03/352010203.db2.gz GKYWBFKMLVFPDY-QWRGUYRKSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCCC2(CC2)C1 307435806 352013427 /nfs/dbraw/zinc/01/34/27/352013427.db2.gz SHWKKCVNQSYSJS-UHFFFAOYSA-N 2 1 182.311 1.600 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307566729 352022679 /nfs/dbraw/zinc/02/26/79/352022679.db2.gz OPAUIUXNZYGISG-RYUDHWBXSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 307566729 352022681 /nfs/dbraw/zinc/02/26/81/352022681.db2.gz OPAUIUXNZYGISG-RYUDHWBXSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307566728 352022757 /nfs/dbraw/zinc/02/27/57/352022757.db2.gz OPAUIUXNZYGISG-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 307566728 352022759 /nfs/dbraw/zinc/02/27/59/352022759.db2.gz OPAUIUXNZYGISG-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307566726 352022816 /nfs/dbraw/zinc/02/28/16/352022816.db2.gz OPAUIUXNZYGISG-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 307566726 352022819 /nfs/dbraw/zinc/02/28/19/352022819.db2.gz OPAUIUXNZYGISG-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307566730 352022846 /nfs/dbraw/zinc/02/28/46/352022846.db2.gz OPAUIUXNZYGISG-VXGBXAGGSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 307566730 352022847 /nfs/dbraw/zinc/02/28/47/352022847.db2.gz OPAUIUXNZYGISG-VXGBXAGGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCCC1 307593154 352024244 /nfs/dbraw/zinc/02/42/44/352024244.db2.gz IQZMOFYBSWLICM-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCCC1 307593154 352024247 /nfs/dbraw/zinc/02/42/47/352024247.db2.gz IQZMOFYBSWLICM-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCCC1 307593163 352024283 /nfs/dbraw/zinc/02/42/83/352024283.db2.gz IQZMOFYBSWLICM-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCCC1 307593163 352024284 /nfs/dbraw/zinc/02/42/84/352024284.db2.gz IQZMOFYBSWLICM-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC1CCCC1 307593172 352024384 /nfs/dbraw/zinc/02/43/84/352024384.db2.gz IQZMOFYBSWLICM-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC1CCCC1 307593172 352024386 /nfs/dbraw/zinc/02/43/86/352024386.db2.gz IQZMOFYBSWLICM-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC1CCCC1 307593182 352024457 /nfs/dbraw/zinc/02/44/57/352024457.db2.gz IQZMOFYBSWLICM-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC1CCCC1 307593182 352024459 /nfs/dbraw/zinc/02/44/59/352024459.db2.gz IQZMOFYBSWLICM-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1CC[C@@H]1CC[NH2+]C1 307605911 352024929 /nfs/dbraw/zinc/02/49/29/352024929.db2.gz ZNDGONQDGPOMRQ-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1CC[C@H]1CC[NH2+]C1 307605908 352024943 /nfs/dbraw/zinc/02/49/43/352024943.db2.gz ZNDGONQDGPOMRQ-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307598971 352025012 /nfs/dbraw/zinc/02/50/12/352025012.db2.gz PMCSCTRHPLHUMT-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]1C 307599548 352025032 /nfs/dbraw/zinc/02/50/32/352025032.db2.gz RAMLKZWIVNOMJV-RKDXNWHRSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]1C 307605910 352025054 /nfs/dbraw/zinc/02/50/54/352025054.db2.gz ZNDGONQDGPOMRQ-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)[C@@H]1C 307605909 352025151 /nfs/dbraw/zinc/02/51/51/352025151.db2.gz ZNDGONQDGPOMRQ-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307598968 352025160 /nfs/dbraw/zinc/02/51/60/352025160.db2.gz PMCSCTRHPLHUMT-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCCCC1 307635632 352027291 /nfs/dbraw/zinc/02/72/91/352027291.db2.gz VQCWPFZOVLXTDZ-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1CCCCC1 307635632 352027294 /nfs/dbraw/zinc/02/72/94/352027294.db2.gz VQCWPFZOVLXTDZ-PWSUYJOCSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCCCC1 307635630 352027358 /nfs/dbraw/zinc/02/73/58/352027358.db2.gz VQCWPFZOVLXTDZ-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCCCC1 307635630 352027360 /nfs/dbraw/zinc/02/73/60/352027360.db2.gz VQCWPFZOVLXTDZ-CMPLNLGQSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1CCCCC1 307635631 352027390 /nfs/dbraw/zinc/02/73/90/352027390.db2.gz VQCWPFZOVLXTDZ-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1CCCCC1 307635631 352027393 /nfs/dbraw/zinc/02/73/93/352027393.db2.gz VQCWPFZOVLXTDZ-JQWIXIFHSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1CCCCC1 307635633 352027532 /nfs/dbraw/zinc/02/75/32/352027532.db2.gz VQCWPFZOVLXTDZ-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1CCCCC1 307635633 352027536 /nfs/dbraw/zinc/02/75/36/352027536.db2.gz VQCWPFZOVLXTDZ-ZYHUDNBSSA-N 2 1 196.338 1.988 20 0 ADADMP Cc1[nH+]cc(C2=CC[NH2+]CC2)n1C 307640257 352028014 /nfs/dbraw/zinc/02/80/14/352028014.db2.gz GTMZXTSCNDLPFR-UHFFFAOYSA-N 2 1 177.251 1.105 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307747331 352037515 /nfs/dbraw/zinc/03/75/15/352037515.db2.gz YHULDMSKHWDEIT-RYUDHWBXSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307747332 352037563 /nfs/dbraw/zinc/03/75/63/352037563.db2.gz YHULDMSKHWDEIT-VXGBXAGGSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307747330 352037577 /nfs/dbraw/zinc/03/75/77/352037577.db2.gz YHULDMSKHWDEIT-NWDGAFQWSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307747329 352037584 /nfs/dbraw/zinc/03/75/84/352037584.db2.gz YHULDMSKHWDEIT-NEPJUHHUSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1C[N@H+](CCCCCF)C[C@H]1[NH3+] 308189632 352045419 /nfs/dbraw/zinc/04/54/19/352045419.db2.gz MQGZPUAXHIFLMR-NXEZZACHSA-N 2 1 188.290 1.405 20 0 ADADMP C[C@@H]1C[N@@H+](CCCCCF)C[C@H]1[NH3+] 308189632 352045420 /nfs/dbraw/zinc/04/54/20/352045420.db2.gz MQGZPUAXHIFLMR-NXEZZACHSA-N 2 1 188.290 1.405 20 0 ADADMP Cc1cnccc1C[NH2+]CC(C)(C)[NH3+] 308654265 352054060 /nfs/dbraw/zinc/05/40/60/352054060.db2.gz MMEQHFWOGHBFJK-UHFFFAOYSA-N 2 1 193.294 1.217 20 0 ADADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)CC1CC1 334272806 352061468 /nfs/dbraw/zinc/06/14/68/352061468.db2.gz XXUWXWZACDZGCK-ZYHUDNBSSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1CC1 334272806 352061469 /nfs/dbraw/zinc/06/14/69/352061469.db2.gz XXUWXWZACDZGCK-ZYHUDNBSSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1CC1 334272806 352061470 /nfs/dbraw/zinc/06/14/70/352061470.db2.gz XXUWXWZACDZGCK-ZYHUDNBSSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1CC1 334272806 352061471 /nfs/dbraw/zinc/06/14/71/352061471.db2.gz XXUWXWZACDZGCK-ZYHUDNBSSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1CC1 334272806 352061472 /nfs/dbraw/zinc/06/14/72/352061472.db2.gz XXUWXWZACDZGCK-ZYHUDNBSSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)CC1CC1 334272805 352062106 /nfs/dbraw/zinc/06/21/06/352062106.db2.gz XXUWXWZACDZGCK-PWSUYJOCSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1CC1 334272805 352062109 /nfs/dbraw/zinc/06/21/09/352062109.db2.gz XXUWXWZACDZGCK-PWSUYJOCSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1CC1 334272805 352062112 /nfs/dbraw/zinc/06/21/12/352062112.db2.gz XXUWXWZACDZGCK-PWSUYJOCSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1CC1 334272805 352062117 /nfs/dbraw/zinc/06/21/17/352062117.db2.gz XXUWXWZACDZGCK-PWSUYJOCSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1CC1 334272805 352062119 /nfs/dbraw/zinc/06/21/19/352062119.db2.gz XXUWXWZACDZGCK-PWSUYJOCSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 334318805 352063984 /nfs/dbraw/zinc/06/39/84/352063984.db2.gz WWZKSDQLOFEGHY-NWDGAFQWSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 334318805 352063990 /nfs/dbraw/zinc/06/39/90/352063990.db2.gz WWZKSDQLOFEGHY-NWDGAFQWSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 334318805 352063994 /nfs/dbraw/zinc/06/39/94/352063994.db2.gz WWZKSDQLOFEGHY-NWDGAFQWSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 334318805 352063998 /nfs/dbraw/zinc/06/39/98/352063998.db2.gz WWZKSDQLOFEGHY-NWDGAFQWSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 334318806 352064404 /nfs/dbraw/zinc/06/44/04/352064404.db2.gz WWZKSDQLOFEGHY-RYUDHWBXSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 334318806 352064406 /nfs/dbraw/zinc/06/44/06/352064406.db2.gz WWZKSDQLOFEGHY-RYUDHWBXSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 334318806 352064409 /nfs/dbraw/zinc/06/44/09/352064409.db2.gz WWZKSDQLOFEGHY-RYUDHWBXSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 334318806 352064412 /nfs/dbraw/zinc/06/44/12/352064412.db2.gz WWZKSDQLOFEGHY-RYUDHWBXSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 334318804 352064508 /nfs/dbraw/zinc/06/45/08/352064508.db2.gz WWZKSDQLOFEGHY-NEPJUHHUSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 334318804 352064510 /nfs/dbraw/zinc/06/45/10/352064510.db2.gz WWZKSDQLOFEGHY-NEPJUHHUSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 334318804 352064512 /nfs/dbraw/zinc/06/45/12/352064512.db2.gz WWZKSDQLOFEGHY-NEPJUHHUSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 334318804 352064514 /nfs/dbraw/zinc/06/45/14/352064514.db2.gz WWZKSDQLOFEGHY-NEPJUHHUSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 334318807 352064531 /nfs/dbraw/zinc/06/45/31/352064531.db2.gz WWZKSDQLOFEGHY-VXGBXAGGSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 334318807 352064534 /nfs/dbraw/zinc/06/45/34/352064534.db2.gz WWZKSDQLOFEGHY-VXGBXAGGSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 334318807 352064536 /nfs/dbraw/zinc/06/45/36/352064536.db2.gz WWZKSDQLOFEGHY-VXGBXAGGSA-N 2 1 196.338 1.668 20 0 ADADMP CC(C)C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 334318807 352064538 /nfs/dbraw/zinc/06/45/38/352064538.db2.gz WWZKSDQLOFEGHY-VXGBXAGGSA-N 2 1 196.338 1.668 20 0 ADADMP C[C@@H]1CCCC[N@@H+](CCC[NH3+])C1 334833897 352083516 /nfs/dbraw/zinc/08/35/16/352083516.db2.gz VRCYPEGZPXCAAA-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP c1csc(C[NH2+][C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 334833882 352083782 /nfs/dbraw/zinc/08/37/82/352083782.db2.gz URYLOINLLKLXQT-MYJAWHEDSA-N 2 1 194.303 1.056 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CCC1 335030494 352087635 /nfs/dbraw/zinc/08/76/35/352087635.db2.gz CYCBKVSXIIAZHB-MNOVXSKESA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCC1 335034130 352087585 /nfs/dbraw/zinc/08/75/85/352087585.db2.gz INIIWEREAAYIJT-MWLCHTKSSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCC1 335034129 352087809 /nfs/dbraw/zinc/08/78/09/352087809.db2.gz INIIWEREAAYIJT-KOLCDFICSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CC1 335030414 352087706 /nfs/dbraw/zinc/08/77/06/352087706.db2.gz CSAPIAWKCMPTRI-NXEZZACHSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(C)CCC1 335030493 352087797 /nfs/dbraw/zinc/08/77/97/352087797.db2.gz CYCBKVSXIIAZHB-GHMZBOCLSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(C)CC1 335030432 352087984 /nfs/dbraw/zinc/08/79/84/352087984.db2.gz CSAPIAWKCMPTRI-ZJUUUORDSA-N 2 1 182.311 1.374 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC1 335043078 352088408 /nfs/dbraw/zinc/08/84/08/352088408.db2.gz MRHNOYMOYIWVNB-SCZZXKLOSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC1 335043077 352088560 /nfs/dbraw/zinc/08/85/60/352088560.db2.gz MRHNOYMOYIWVNB-PSASIEDQSA-N 2 1 168.284 1.127 20 0 ADADMP C[C@@H]1CCC[C@@H](C)[N@@H+](CCC[NH3+])C1 335257360 352092842 /nfs/dbraw/zinc/09/28/42/352092842.db2.gz OYGHLBRVRXTUCD-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 335295077 352093426 /nfs/dbraw/zinc/09/34/26/352093426.db2.gz LLWBTLYWYXDWQX-VXGBXAGGSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 335295077 352093427 /nfs/dbraw/zinc/09/34/27/352093427.db2.gz LLWBTLYWYXDWQX-VXGBXAGGSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 335295077 352093428 /nfs/dbraw/zinc/09/34/28/352093428.db2.gz LLWBTLYWYXDWQX-VXGBXAGGSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 335295074 352093501 /nfs/dbraw/zinc/09/35/01/352093501.db2.gz LLWBTLYWYXDWQX-NEPJUHHUSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 335295074 352093502 /nfs/dbraw/zinc/09/35/02/352093502.db2.gz LLWBTLYWYXDWQX-NEPJUHHUSA-N 2 1 196.338 1.813 20 0 ADADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 335295074 352093505 /nfs/dbraw/zinc/09/35/05/352093505.db2.gz LLWBTLYWYXDWQX-NEPJUHHUSA-N 2 1 196.338 1.813 20 0 ADADMP CC(C)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C 335307044 352094337 /nfs/dbraw/zinc/09/43/37/352094337.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 1 196.338 1.811 20 0 ADADMP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C 335307044 352094341 /nfs/dbraw/zinc/09/43/41/352094341.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 1 196.338 1.811 20 0 ADADMP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C 335307044 352094342 /nfs/dbraw/zinc/09/43/42/352094342.db2.gz JPZWPWODKNAGPE-NEPJUHHUSA-N 2 1 196.338 1.811 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)C 335426503 352098032 /nfs/dbraw/zinc/09/80/32/352098032.db2.gz WYBIMFKFCPGROR-ZJUUUORDSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)C 335426500 352098310 /nfs/dbraw/zinc/09/83/10/352098310.db2.gz WYBIMFKFCPGROR-NXEZZACHSA-N 2 1 184.327 1.620 20 0 ADADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH3+] 335567508 352103461 /nfs/dbraw/zinc/10/34/61/352103461.db2.gz YQQJAHLTZORIFA-SKDRFNHKSA-N 2 1 190.290 1.468 20 0 ADADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH3+] 335567503 352103543 /nfs/dbraw/zinc/10/35/43/352103543.db2.gz YQQJAHLTZORIFA-BXKDBHETSA-N 2 1 190.290 1.468 20 0 ADADMP CC(C)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 335571561 352104110 /nfs/dbraw/zinc/10/41/10/352104110.db2.gz GVIFWYBQKRGTHP-GFCCVEGCSA-N 2 1 196.338 1.670 20 0 ADADMP CC(C)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 335571563 352104208 /nfs/dbraw/zinc/10/42/08/352104208.db2.gz GVIFWYBQKRGTHP-LBPRGKRZSA-N 2 1 196.338 1.670 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCn2cncc2C1 336400943 352140638 /nfs/dbraw/zinc/14/06/38/352140638.db2.gz ZMFNJJGTHUMJRG-ZJUUUORDSA-N 2 1 191.278 1.355 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCn2cncc2C1 336400940 352140654 /nfs/dbraw/zinc/14/06/54/352140654.db2.gz ZMFNJJGTHUMJRG-NXEZZACHSA-N 2 1 191.278 1.355 20 0 ADADMP C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C 336556140 352148005 /nfs/dbraw/zinc/14/80/05/352148005.db2.gz MTBLKVUEBURJPW-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C 336556140 352148000 /nfs/dbraw/zinc/14/80/00/352148000.db2.gz MTBLKVUEBURJPW-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C 336556140 352148003 /nfs/dbraw/zinc/14/80/03/352148003.db2.gz MTBLKVUEBURJPW-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C 336556143 352148031 /nfs/dbraw/zinc/14/80/31/352148031.db2.gz MTBLKVUEBURJPW-VXGBXAGGSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C 336556143 352148033 /nfs/dbraw/zinc/14/80/33/352148033.db2.gz MTBLKVUEBURJPW-VXGBXAGGSA-N 2 1 196.338 1.955 20 0 ADADMP C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C 336556143 352148035 /nfs/dbraw/zinc/14/80/35/352148035.db2.gz MTBLKVUEBURJPW-VXGBXAGGSA-N 2 1 196.338 1.955 20 0 ADADMP CC(C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C 336595333 352150217 /nfs/dbraw/zinc/15/02/17/352150217.db2.gz WBIREVAACJOQOU-RYUDHWBXSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C 336595333 352150224 /nfs/dbraw/zinc/15/02/24/352150224.db2.gz WBIREVAACJOQOU-RYUDHWBXSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C 336595333 352150228 /nfs/dbraw/zinc/15/02/28/352150228.db2.gz WBIREVAACJOQOU-RYUDHWBXSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C 336595333 352150230 /nfs/dbraw/zinc/15/02/30/352150230.db2.gz WBIREVAACJOQOU-RYUDHWBXSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C 336595334 352150537 /nfs/dbraw/zinc/15/05/37/352150537.db2.gz WBIREVAACJOQOU-VXGBXAGGSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C 336595334 352150541 /nfs/dbraw/zinc/15/05/41/352150541.db2.gz WBIREVAACJOQOU-VXGBXAGGSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C 336595334 352150543 /nfs/dbraw/zinc/15/05/43/352150543.db2.gz WBIREVAACJOQOU-VXGBXAGGSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C 336595334 352150546 /nfs/dbraw/zinc/15/05/46/352150546.db2.gz WBIREVAACJOQOU-VXGBXAGGSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C 336595332 352150571 /nfs/dbraw/zinc/15/05/71/352150571.db2.gz WBIREVAACJOQOU-NWDGAFQWSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C 336595332 352150572 /nfs/dbraw/zinc/15/05/72/352150572.db2.gz WBIREVAACJOQOU-NWDGAFQWSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C 336595332 352150573 /nfs/dbraw/zinc/15/05/73/352150573.db2.gz WBIREVAACJOQOU-NWDGAFQWSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C 336595332 352150575 /nfs/dbraw/zinc/15/05/75/352150575.db2.gz WBIREVAACJOQOU-NWDGAFQWSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C 336595331 352150689 /nfs/dbraw/zinc/15/06/89/352150689.db2.gz WBIREVAACJOQOU-NEPJUHHUSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C 336595331 352150691 /nfs/dbraw/zinc/15/06/91/352150691.db2.gz WBIREVAACJOQOU-NEPJUHHUSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C 336595331 352150693 /nfs/dbraw/zinc/15/06/93/352150693.db2.gz WBIREVAACJOQOU-NEPJUHHUSA-N 2 1 198.354 1.914 20 0 ADADMP CC(C)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C 336595331 352150695 /nfs/dbraw/zinc/15/06/95/352150695.db2.gz WBIREVAACJOQOU-NEPJUHHUSA-N 2 1 198.354 1.914 20 0 ADADMP C[C@@]12C[NH2+]C[C@]1(C)C[N@@H+](C1CC1)C2 536954852 352192782 /nfs/dbraw/zinc/19/27/82/352192782.db2.gz MZIKCIAWYHYPCK-PHIMTYICSA-N 2 1 180.295 1.080 20 0 ADADMP C[NH+]1CCC([NH2+]C2(C)CC2)CC1 575473490 352290739 /nfs/dbraw/zinc/29/07/39/352290739.db2.gz DGCQDNLZIDRNTC-UHFFFAOYSA-N 2 1 168.284 1.223 20 0 ADADMP CC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC[NH3+] 575478646 352296658 /nfs/dbraw/zinc/29/66/58/352296658.db2.gz IVSWIGPIFAZZBY-PBINXNQUSA-N 2 1 168.284 1.208 20 0 ADADMP CC1C[C@@H]2CC[C@H](C1)[N@H+]2CC[NH3+] 575478646 352296661 /nfs/dbraw/zinc/29/66/61/352296661.db2.gz IVSWIGPIFAZZBY-PBINXNQUSA-N 2 1 168.284 1.208 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@@H]([NH3+])C2)C1 575492249 352367039 /nfs/dbraw/zinc/36/70/39/352367039.db2.gz YHEVPJCPVGKHIQ-UDNWOFFPSA-N 2 1 168.284 1.066 20 0 ADADMP CC1CC(C[N@H+]2CC[C@@H]([NH3+])C2)C1 575492249 352367043 /nfs/dbraw/zinc/36/70/43/352367043.db2.gz YHEVPJCPVGKHIQ-UDNWOFFPSA-N 2 1 168.284 1.066 20 0 ADADMP CC1CC(C[N@@H+]2CC[C@H]([NH3+])C2)C1 575492248 352367064 /nfs/dbraw/zinc/36/70/64/352367064.db2.gz YHEVPJCPVGKHIQ-RTBKNWGFSA-N 2 1 168.284 1.066 20 0 ADADMP CC1CC(C[N@H+]2CC[C@H]([NH3+])C2)C1 575492248 352367066 /nfs/dbraw/zinc/36/70/66/352367066.db2.gz YHEVPJCPVGKHIQ-RTBKNWGFSA-N 2 1 168.284 1.066 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC=CC2)C[C@H]1[NH3+] 575494057 352376347 /nfs/dbraw/zinc/37/63/47/352376347.db2.gz LKTMQDQICNQTHV-MWLCHTKSSA-N 2 1 180.295 1.232 20 0 ADADMP CC1CC(C[N@H+]2CCC[C@H]([NH3+])C2)C1 575494159 352377088 /nfs/dbraw/zinc/37/70/88/352377088.db2.gz WGXSVGVKEKJVPQ-ILDUYXDCSA-N 2 1 182.311 1.456 20 0 ADADMP CC1CC(C[N@H+]2CCC[C@@H]([NH3+])C2)C1 575494160 352377400 /nfs/dbraw/zinc/37/74/00/352377400.db2.gz WGXSVGVKEKJVPQ-VQXHTEKXSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CC[C@@H]2C[C@@H]2C1 575498895 352397294 /nfs/dbraw/zinc/39/72/94/352397294.db2.gz ARVAZGNYROGMLY-RKDXNWHRSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H]2C[C@@H]2C1 575498895 352397297 /nfs/dbraw/zinc/39/72/97/352397297.db2.gz ARVAZGNYROGMLY-RKDXNWHRSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CC[C@H]2C[C@H]2C1 575498894 352397516 /nfs/dbraw/zinc/39/75/16/352397516.db2.gz ARVAZGNYROGMLY-IUCAKERBSA-N 2 1 168.284 1.066 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H]2C[C@H]2C1 575498894 352397519 /nfs/dbraw/zinc/39/75/19/352397519.db2.gz ARVAZGNYROGMLY-IUCAKERBSA-N 2 1 168.284 1.066 20 0 ADADMP C[NH+]1CCC([NH2+][C@H]2C=CCC2)CC1 575499229 352399684 /nfs/dbraw/zinc/39/96/84/352399684.db2.gz BPULPSVQYUFFBK-JTQLQIEISA-N 2 1 180.295 1.389 20 0 ADADMP C[NH+]1CCC([NH2+][C@@H]2C=CCC2)CC1 575499231 352400072 /nfs/dbraw/zinc/40/00/72/352400072.db2.gz BPULPSVQYUFFBK-SNVBAGLBSA-N 2 1 180.295 1.389 20 0 ADADMP C[C@@H]1NCCC[C@@H]1[NH2+][C@@H]1C=CCC1 575499800 352403620 /nfs/dbraw/zinc/40/36/20/352403620.db2.gz NDYHEMHACKIVSM-AXFHLTTASA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1C=CCC1 575499800 352403624 /nfs/dbraw/zinc/40/36/24/352403624.db2.gz NDYHEMHACKIVSM-AXFHLTTASA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1C=CCC1 575499808 352403719 /nfs/dbraw/zinc/40/37/19/352403719.db2.gz NDYHEMHACKIVSM-GARJFASQSA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1C=CCC1 575499813 352403908 /nfs/dbraw/zinc/40/39/08/352403908.db2.gz NDYHEMHACKIVSM-HBNTYKKESA-N 2 1 180.295 1.435 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1C=CCC1 575499803 352403993 /nfs/dbraw/zinc/40/39/93/352403993.db2.gz NDYHEMHACKIVSM-DCAQKATOSA-N 2 1 180.295 1.435 20 0 ADADMP C1C[NH2+][C@@H](C[N@@H+]2CC[C@H]3C[C@H]3C2)C1 575500978 352409709 /nfs/dbraw/zinc/40/97/09/352409709.db2.gz WLCDIPQOMCENDC-GARJFASQSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[NH2+][C@@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 575500978 352409712 /nfs/dbraw/zinc/40/97/12/352409712.db2.gz WLCDIPQOMCENDC-GARJFASQSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[NH2+][C@@H](C[N@@H+]2CC[C@@H]3C[C@@H]3C2)C1 575500983 352409792 /nfs/dbraw/zinc/40/97/92/352409792.db2.gz WLCDIPQOMCENDC-GMTAPVOTSA-N 2 1 180.295 1.080 20 0 ADADMP C1C[NH2+][C@@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 575500983 352409795 /nfs/dbraw/zinc/40/97/95/352409795.db2.gz WLCDIPQOMCENDC-GMTAPVOTSA-N 2 1 180.295 1.080 20 0 ADADMP CC(C)([NH3+])C[NH+]1CCC(F)CC1 575514210 352482591 /nfs/dbraw/zinc/48/25/91/352482591.db2.gz GDCHXWWMDXTUGQ-UHFFFAOYSA-N 2 1 174.263 1.158 20 0 ADADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H](F)C2)C1 575518375 352502185 /nfs/dbraw/zinc/50/21/85/352502185.db2.gz USKLXICGSYVCMN-LPEHRKFASA-N 2 1 186.274 1.158 20 0 ADADMP CCC[N@@H+]1C[C@]2(C)C[NH2+]C[C@]2(C)C1 575539369 352599044 /nfs/dbraw/zinc/59/90/44/352599044.db2.gz VBLVRGCIHCWCFJ-PHIMTYICSA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)C[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 575549399 352634619 /nfs/dbraw/zinc/63/46/19/352634619.db2.gz KKBJEYWSPIMSGF-MNOVXSKESA-N 2 1 182.311 1.184 20 0 ADADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@@H]3C[C@@H]32)C1 575583087 352791382 /nfs/dbraw/zinc/79/13/82/352791382.db2.gz IVACAZIFEVGSIZ-ZDCRXTMVSA-N 2 1 180.295 1.208 20 0 ADADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CC[C@H]3C[C@H]32)C1 575583086 352791631 /nfs/dbraw/zinc/79/16/31/352791631.db2.gz IVACAZIFEVGSIZ-UKKRHICBSA-N 2 1 180.295 1.208 20 0 ADADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C 575583508 352793683 /nfs/dbraw/zinc/79/36/83/352793683.db2.gz LZWGEDOVQNBYFG-GMTAPVOTSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1[C@H](C)C[N@H+]1C[C@@H]1CCC[NH2+]C1 575583723 352793704 /nfs/dbraw/zinc/79/37/04/352793704.db2.gz LZWGEDOVQNBYFG-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]1C 575583501 352793751 /nfs/dbraw/zinc/79/37/51/352793751.db2.gz LZWGEDOVQNBYFG-GARJFASQSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C 575583513 352793944 /nfs/dbraw/zinc/79/39/44/352793944.db2.gz LZWGEDOVQNBYFG-HBNTYKKESA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)[C@H]1C 575584398 352796606 /nfs/dbraw/zinc/79/66/06/352796606.db2.gz PYECYYHWNBZZPM-YTWAJWBKSA-N 2 1 182.311 1.182 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@@H]1C 575584399 352796701 /nfs/dbraw/zinc/79/67/01/352796701.db2.gz PYECYYHWNBZZPM-ZNSHCXBVSA-N 2 1 182.311 1.182 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C)[C@@H]1C 575584396 352796978 /nfs/dbraw/zinc/79/69/78/352796978.db2.gz PYECYYHWNBZZPM-RCWTZXSCSA-N 2 1 182.311 1.182 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C)[C@H]1C 575584393 352797080 /nfs/dbraw/zinc/79/70/80/352797080.db2.gz PYECYYHWNBZZPM-DBIOUOCHSA-N 2 1 182.311 1.182 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CC1=CCCC1 575591934 352834561 /nfs/dbraw/zinc/83/45/61/352834561.db2.gz NEBXHGJLTPLMJS-KOLCDFICSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CC1=CCCC1 575591934 352834564 /nfs/dbraw/zinc/83/45/64/352834564.db2.gz NEBXHGJLTPLMJS-KOLCDFICSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CC1=CCCC1 575591937 352834677 /nfs/dbraw/zinc/83/46/77/352834677.db2.gz NEBXHGJLTPLMJS-ONGXEEELSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CC1=CCCC1 575591937 352834681 /nfs/dbraw/zinc/83/46/81/352834681.db2.gz NEBXHGJLTPLMJS-ONGXEEELSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CC1=CCCC1 575591936 352834761 /nfs/dbraw/zinc/83/47/61/352834761.db2.gz NEBXHGJLTPLMJS-MWLCHTKSSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CC1=CCCC1 575591936 352834764 /nfs/dbraw/zinc/83/47/64/352834764.db2.gz NEBXHGJLTPLMJS-MWLCHTKSSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CC1=CCCC1 575591932 352834804 /nfs/dbraw/zinc/83/48/04/352834804.db2.gz NEBXHGJLTPLMJS-GXSJLCMTSA-N 2 1 180.295 1.518 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CC1=CCCC1 575591932 352834807 /nfs/dbraw/zinc/83/48/07/352834807.db2.gz NEBXHGJLTPLMJS-GXSJLCMTSA-N 2 1 180.295 1.518 20 0 ADADMP C1CC[C@@H]2[C@H](C1)C[N@@H+]2CC1C[NH2+]C1 575595141 352853731 /nfs/dbraw/zinc/85/37/31/352853731.db2.gz VZUNEOVFLWXDOW-GHMZBOCLSA-N 2 1 180.295 1.080 20 0 ADADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)C1CC1 643056806 352935756 /nfs/dbraw/zinc/93/57/56/352935756.db2.gz OAZJSYMEXYNHSV-LLVKDONJSA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643066256 352935776 /nfs/dbraw/zinc/93/57/76/352935776.db2.gz MAYBFTPSTQPRIH-HBNTYKKESA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643066256 352935778 /nfs/dbraw/zinc/93/57/78/352935778.db2.gz MAYBFTPSTQPRIH-HBNTYKKESA-N 2 1 182.311 1.469 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1CC[C@H]1CC[NH2+]C1 643058525 352935824 /nfs/dbraw/zinc/93/58/24/352935824.db2.gz QEZCTBPJBWAQKU-GRYCIOLGSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC1 643056807 352935853 /nfs/dbraw/zinc/93/58/53/352935853.db2.gz OAZJSYMEXYNHSV-NSHDSACASA-N 2 1 196.338 1.859 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643066255 352935899 /nfs/dbraw/zinc/93/58/99/352935899.db2.gz MAYBFTPSTQPRIH-GARJFASQSA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643066255 352935901 /nfs/dbraw/zinc/93/59/01/352935901.db2.gz MAYBFTPSTQPRIH-GARJFASQSA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643066254 352935905 /nfs/dbraw/zinc/93/59/05/352935905.db2.gz MAYBFTPSTQPRIH-DCAQKATOSA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643066254 352935907 /nfs/dbraw/zinc/93/59/07/352935907.db2.gz MAYBFTPSTQPRIH-DCAQKATOSA-N 2 1 182.311 1.469 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1CC[C@@H]1CC[NH2+]C1 643058527 352935931 /nfs/dbraw/zinc/93/59/31/352935931.db2.gz QEZCTBPJBWAQKU-TUAOUCFPSA-N 2 1 196.338 1.859 20 0 ADADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCC1 643058215 352935937 /nfs/dbraw/zinc/93/59/37/352935937.db2.gz RQCJWZXUPGZBJA-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643066253 352935956 /nfs/dbraw/zinc/93/59/56/352935956.db2.gz MAYBFTPSTQPRIH-AXFHLTTASA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643066253 352935957 /nfs/dbraw/zinc/93/59/57/352935957.db2.gz MAYBFTPSTQPRIH-AXFHLTTASA-N 2 1 182.311 1.469 20 0 ADADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCC1 643058216 352935965 /nfs/dbraw/zinc/93/59/65/352935965.db2.gz RQCJWZXUPGZBJA-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP C1CC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 643069751 352936441 /nfs/dbraw/zinc/93/64/41/352936441.db2.gz XMJHUDXXSOFSLB-NWDGAFQWSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 643069751 352936444 /nfs/dbraw/zinc/93/64/44/352936444.db2.gz XMJHUDXXSOFSLB-NWDGAFQWSA-N 2 1 194.322 1.470 20 0 ADADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCF 643075466 352936536 /nfs/dbraw/zinc/93/65/36/352936536.db2.gz INLNGYHOZIQBCE-MRVPVSSYSA-N 2 1 176.279 1.309 20 0 ADADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CCC1 643075632 352936611 /nfs/dbraw/zinc/93/66/11/352936611.db2.gz SKVHATCUHYYHEO-SNVBAGLBSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCF 643075467 352936666 /nfs/dbraw/zinc/93/66/66/352936666.db2.gz INLNGYHOZIQBCE-QMMMGPOBSA-N 2 1 176.279 1.309 20 0 ADADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CC1 643077216 352936671 /nfs/dbraw/zinc/93/66/71/352936671.db2.gz CUUHUUZZPNPAAS-KKZNHRDASA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH2+]CC1CC1 643077218 352936683 /nfs/dbraw/zinc/93/66/83/352936683.db2.gz CUUHUUZZPNPAAS-YWVKMMECSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH2+]CC1CC1 643077217 352936716 /nfs/dbraw/zinc/93/67/16/352936716.db2.gz CUUHUUZZPNPAAS-WCABBAIRSA-N 2 1 182.311 1.373 20 0 ADADMP CCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643070693 352936736 /nfs/dbraw/zinc/93/67/36/352936736.db2.gz KTZWUSBZAGAWMF-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643070693 352936737 /nfs/dbraw/zinc/93/67/37/352936737.db2.gz KTZWUSBZAGAWMF-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CC1 643077215 352936741 /nfs/dbraw/zinc/93/67/41/352936741.db2.gz CUUHUUZZPNPAAS-FXPVBKGRSA-N 2 1 182.311 1.373 20 0 ADADMP CCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643070692 352936750 /nfs/dbraw/zinc/93/67/50/352936750.db2.gz KTZWUSBZAGAWMF-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[NH2+][C@@H](C[NH3+])C(C)(C)C 643075762 352936756 /nfs/dbraw/zinc/93/67/56/352936756.db2.gz BAQDQSUNUXVCGZ-VIFPVBQESA-N 2 1 172.316 1.750 20 0 ADADMP CCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643070829 352936760 /nfs/dbraw/zinc/93/67/60/352936760.db2.gz ODXKLTONSWYNRS-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 643070829 352936762 /nfs/dbraw/zinc/93/67/62/352936762.db2.gz ODXKLTONSWYNRS-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643070827 352936768 /nfs/dbraw/zinc/93/67/68/352936768.db2.gz ODXKLTONSWYNRS-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643070827 352936769 /nfs/dbraw/zinc/93/67/69/352936769.db2.gz ODXKLTONSWYNRS-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP C1CC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 643069752 352936779 /nfs/dbraw/zinc/93/67/79/352936779.db2.gz XMJHUDXXSOFSLB-RYUDHWBXSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1 643069752 352936781 /nfs/dbraw/zinc/93/67/81/352936781.db2.gz XMJHUDXXSOFSLB-RYUDHWBXSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 643069753 352936814 /nfs/dbraw/zinc/93/68/14/352936814.db2.gz XMJHUDXXSOFSLB-VXGBXAGGSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)C1 643069753 352936816 /nfs/dbraw/zinc/93/68/16/352936816.db2.gz XMJHUDXXSOFSLB-VXGBXAGGSA-N 2 1 194.322 1.470 20 0 ADADMP CCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643070691 352936820 /nfs/dbraw/zinc/93/68/20/352936820.db2.gz KTZWUSBZAGAWMF-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 643070691 352936822 /nfs/dbraw/zinc/93/68/22/352936822.db2.gz KTZWUSBZAGAWMF-MNOVXSKESA-N 2 1 182.311 1.470 20 0 ADADMP CCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643070828 352936832 /nfs/dbraw/zinc/93/68/32/352936832.db2.gz ODXKLTONSWYNRS-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 643070828 352936834 /nfs/dbraw/zinc/93/68/34/352936834.db2.gz ODXKLTONSWYNRS-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643070830 352936840 /nfs/dbraw/zinc/93/68/40/352936840.db2.gz ODXKLTONSWYNRS-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643070830 352936841 /nfs/dbraw/zinc/93/68/41/352936841.db2.gz ODXKLTONSWYNRS-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP C1CC(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 643069750 352936870 /nfs/dbraw/zinc/93/68/70/352936870.db2.gz XMJHUDXXSOFSLB-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1 643069750 352936872 /nfs/dbraw/zinc/93/68/72/352936872.db2.gz XMJHUDXXSOFSLB-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP CCCC[NH2+][C@H](C[NH3+])C(C)(C)C 643075761 352936901 /nfs/dbraw/zinc/93/69/01/352936901.db2.gz BAQDQSUNUXVCGZ-SECBINFHSA-N 2 1 172.316 1.750 20 0 ADADMP CCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643070690 352936947 /nfs/dbraw/zinc/93/69/47/352936947.db2.gz KTZWUSBZAGAWMF-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 643070690 352936950 /nfs/dbraw/zinc/93/69/50/352936950.db2.gz KTZWUSBZAGAWMF-GHMZBOCLSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CCC1 643075631 352936955 /nfs/dbraw/zinc/93/69/55/352936955.db2.gz SKVHATCUHYYHEO-JTQLQIEISA-N 2 1 184.327 1.750 20 0 ADADMP Cc1cccc([C@H](C)[NH2+]CC[NH3+])c1C 643078795 352937350 /nfs/dbraw/zinc/93/73/50/352937350.db2.gz YAIYRMMXUYLBKY-NSHDSACASA-N 2 1 192.306 1.913 20 0 ADADMP CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077698 352937356 /nfs/dbraw/zinc/93/73/56/352937356.db2.gz XAGUPBOJFSYJEY-OPRDCNLKSA-N 2 1 170.300 1.373 20 0 ADADMP C[C@@H]1[NH2+]CC[C@@H](C)[C@H]1[NH2+]CC1CCC1 643077533 352937361 /nfs/dbraw/zinc/93/73/61/352937361.db2.gz PHUGHLRCKDESDH-JFGNBEQYSA-N 2 1 196.338 1.763 20 0 ADADMP CCCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077692 352937366 /nfs/dbraw/zinc/93/73/66/352937366.db2.gz SKSXOEIZHVOKHT-OUAUKWLOSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CCC1 643077532 352937446 /nfs/dbraw/zinc/93/74/46/352937446.db2.gz PHUGHLRCKDESDH-FOGDFJRCSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC[NH3+] 643078786 352937503 /nfs/dbraw/zinc/93/75/03/352937503.db2.gz LULJHSDRTBSMGR-GHMZBOCLSA-N 2 1 192.306 1.727 20 0 ADADMP CC(C)C[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077670 352937535 /nfs/dbraw/zinc/93/75/35/352937535.db2.gz BKVCCLYXJGCDNJ-OUAUKWLOSA-N 2 1 184.327 1.619 20 0 ADADMP CCCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077690 352937540 /nfs/dbraw/zinc/93/75/40/352937540.db2.gz SKSXOEIZHVOKHT-GMTAPVOTSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@H]([NH2+]CC[NH3+])[C@H](C)c1ccccc1 643078789 352937572 /nfs/dbraw/zinc/93/75/72/352937572.db2.gz LULJHSDRTBSMGR-WDEREUQCSA-N 2 1 192.306 1.727 20 0 ADADMP C[N@H+](CC[NH3+])CCCCC(F)(F)F 643081322 352937585 /nfs/dbraw/zinc/93/75/85/352937585.db2.gz DGZVUSFALGFGSI-UHFFFAOYSA-N 2 1 198.232 1.610 20 0 ADADMP C[N@@H+](CC[NH3+])CCCCC(F)(F)F 643081322 352937588 /nfs/dbraw/zinc/93/75/88/352937588.db2.gz DGZVUSFALGFGSI-UHFFFAOYSA-N 2 1 198.232 1.610 20 0 ADADMP CCC[NH2+][C@H]1[C@H](C)[NH2+]CC[C@H]1C 643077696 352937597 /nfs/dbraw/zinc/93/75/97/352937597.db2.gz XAGUPBOJFSYJEY-KXUCPTDWSA-N 2 1 170.300 1.373 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])[C@H](C)c1ccccc1 643078788 352937618 /nfs/dbraw/zinc/93/76/18/352937618.db2.gz LULJHSDRTBSMGR-QWRGUYRKSA-N 2 1 192.306 1.727 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])[C@@H](C)c1ccccc1 643078787 352937629 /nfs/dbraw/zinc/93/76/29/352937629.db2.gz LULJHSDRTBSMGR-MNOVXSKESA-N 2 1 192.306 1.727 20 0 ADADMP CC(C)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C 643077668 352937637 /nfs/dbraw/zinc/93/76/37/352937637.db2.gz BKVCCLYXJGCDNJ-GMTAPVOTSA-N 2 1 184.327 1.619 20 0 ADADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CCC1 643077531 352937786 /nfs/dbraw/zinc/93/77/86/352937786.db2.gz PHUGHLRCKDESDH-CKYFFXLPSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CC[C@@H](C)[C@@H]1[NH2+]CC1CCC1 643077534 352937805 /nfs/dbraw/zinc/93/78/05/352937805.db2.gz PHUGHLRCKDESDH-SCVCMEIPSA-N 2 1 196.338 1.763 20 0 ADADMP CCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077691 352937857 /nfs/dbraw/zinc/93/78/57/352937857.db2.gz SKSXOEIZHVOKHT-HBNTYKKESA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077667 352937931 /nfs/dbraw/zinc/93/79/31/352937931.db2.gz BKVCCLYXJGCDNJ-GARJFASQSA-N 2 1 184.327 1.619 20 0 ADADMP CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077697 352937936 /nfs/dbraw/zinc/93/79/36/352937936.db2.gz XAGUPBOJFSYJEY-LPEHRKFASA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@@H]1C 643077669 352937941 /nfs/dbraw/zinc/93/79/41/352937941.db2.gz BKVCCLYXJGCDNJ-HBNTYKKESA-N 2 1 184.327 1.619 20 0 ADADMP CCCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C 643077689 352937955 /nfs/dbraw/zinc/93/79/55/352937955.db2.gz SKSXOEIZHVOKHT-GARJFASQSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@H]([NH2+]C1CC1)[C@@H]1CCC[NH2+]1 643454135 352952493 /nfs/dbraw/zinc/95/24/93/352952493.db2.gz CSFJBRRTYGINJN-UWVGGRQHSA-N 2 1 168.284 1.269 20 0 ADADMP CC[C@@H]([NH2+]C1CC1)[C@@H]1CCC[NH2+]1 643454136 352952674 /nfs/dbraw/zinc/95/26/74/352952674.db2.gz CSFJBRRTYGINJN-ZJUUUORDSA-N 2 1 168.284 1.269 20 0 ADADMP CCCC[NH2+][C@@H](C)c1c[nH+]ccc1N 643454263 352953279 /nfs/dbraw/zinc/95/32/79/352953279.db2.gz XSDFKRNPSDQRGB-VIFPVBQESA-N 2 1 193.294 1.945 20 0 ADADMP CC(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N 643454254 352953301 /nfs/dbraw/zinc/95/33/01/352953301.db2.gz QMONWXICQCRUFG-VIFPVBQESA-N 2 1 193.294 1.801 20 0 ADADMP CCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643454237 352953409 /nfs/dbraw/zinc/95/34/09/352953409.db2.gz OLULYISYXHTOLM-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP CC(C)C[NH2+][C@H](C)c1c[nH+]ccc1N 643454253 352953561 /nfs/dbraw/zinc/95/35/61/352953561.db2.gz QMONWXICQCRUFG-SECBINFHSA-N 2 1 193.294 1.801 20 0 ADADMP CCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643454238 352953690 /nfs/dbraw/zinc/95/36/90/352953690.db2.gz OLULYISYXHTOLM-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CCCC[NH2+][C@H](C)c1c[nH+]ccc1N 643454262 352953782 /nfs/dbraw/zinc/95/37/82/352953782.db2.gz XSDFKRNPSDQRGB-SECBINFHSA-N 2 1 193.294 1.945 20 0 ADADMP CCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643454236 352953826 /nfs/dbraw/zinc/95/38/26/352953826.db2.gz OLULYISYXHTOLM-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP CCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643454235 352953870 /nfs/dbraw/zinc/95/38/70/352953870.db2.gz OLULYISYXHTOLM-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP CCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643455680 352954180 /nfs/dbraw/zinc/95/41/80/352954180.db2.gz ZUICEZGODQMLTM-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643455677 352954219 /nfs/dbraw/zinc/95/42/19/352954219.db2.gz ZUICEZGODQMLTM-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP CCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643455678 352954366 /nfs/dbraw/zinc/95/43/66/352954366.db2.gz ZUICEZGODQMLTM-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643455679 352954526 /nfs/dbraw/zinc/95/45/26/352954526.db2.gz ZUICEZGODQMLTM-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccco1 643455609 352954588 /nfs/dbraw/zinc/95/45/88/352954588.db2.gz DPIOLRGQVOHZHP-RKDXNWHRSA-N 2 1 182.267 1.495 20 0 ADADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccco1 643455608 352954704 /nfs/dbraw/zinc/95/47/04/352954704.db2.gz DPIOLRGQVOHZHP-IUCAKERBSA-N 2 1 182.267 1.495 20 0 ADADMP C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccco1 643455607 352954809 /nfs/dbraw/zinc/95/48/09/352954809.db2.gz DPIOLRGQVOHZHP-DTWKUNHWSA-N 2 1 182.267 1.495 20 0 ADADMP C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1ccco1 643455606 352954877 /nfs/dbraw/zinc/95/48/77/352954877.db2.gz DPIOLRGQVOHZHP-BDAKNGLRSA-N 2 1 182.267 1.495 20 0 ADADMP C[C@@H]([NH2+]CC1CC1)c1c[nH+]ccc1N 643459691 352955213 /nfs/dbraw/zinc/95/52/13/352955213.db2.gz PXPSISUZRMOLMQ-MRVPVSSYSA-N 2 1 191.278 1.555 20 0 ADADMP C[C@H]([NH2+]CC1CC1)c1c[nH+]ccc1N 643459692 352955499 /nfs/dbraw/zinc/95/54/99/352955499.db2.gz PXPSISUZRMOLMQ-QMMMGPOBSA-N 2 1 191.278 1.555 20 0 ADADMP C[C@@H]([NH2+]Cc1ccsc1)C1C[NH2+]C1 643461481 352955678 /nfs/dbraw/zinc/95/56/78/352955678.db2.gz JFPFMPKFQFLFST-MRVPVSSYSA-N 2 1 196.319 1.446 20 0 ADADMP C[C@H]([NH2+]Cc1ccsc1)C1C[NH2+]C1 643461482 352955838 /nfs/dbraw/zinc/95/58/38/352955838.db2.gz JFPFMPKFQFLFST-QMMMGPOBSA-N 2 1 196.319 1.446 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CC1 643464834 352955992 /nfs/dbraw/zinc/95/59/92/352955992.db2.gz FEWDDPYVGUULSO-JQWIXIFHSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CC1 643464836 352956048 /nfs/dbraw/zinc/95/60/48/352956048.db2.gz FEWDDPYVGUULSO-ZYHUDNBSSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC1CC1 643464833 352956159 /nfs/dbraw/zinc/95/61/59/352956159.db2.gz FEWDDPYVGUULSO-CMPLNLGQSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC1CC1 643464835 352956515 /nfs/dbraw/zinc/95/65/15/352956515.db2.gz FEWDDPYVGUULSO-PWSUYJOCSA-N 2 1 196.338 1.764 20 0 ADADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 643466012 352956954 /nfs/dbraw/zinc/95/69/54/352956954.db2.gz NEJXYNVDGXYADS-MNOVXSKESA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC1 643467287 352957116 /nfs/dbraw/zinc/95/71/16/352957116.db2.gz VYKRVPDGWVYHIE-FXPVBKGRSA-N 2 1 182.311 1.373 20 0 ADADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 643466014 352957222 /nfs/dbraw/zinc/95/72/22/352957222.db2.gz NEJXYNVDGXYADS-WDEREUQCSA-N 2 1 196.338 1.764 20 0 ADADMP CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 643466011 352957417 /nfs/dbraw/zinc/95/74/17/352957417.db2.gz NEJXYNVDGXYADS-GHMZBOCLSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC1 643467290 352957450 /nfs/dbraw/zinc/95/74/50/352957450.db2.gz VYKRVPDGWVYHIE-YWVKMMECSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC1 643467288 352957488 /nfs/dbraw/zinc/95/74/88/352957488.db2.gz VYKRVPDGWVYHIE-KKZNHRDASA-N 2 1 182.311 1.373 20 0 ADADMP CCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 643466013 352957493 /nfs/dbraw/zinc/95/74/93/352957493.db2.gz NEJXYNVDGXYADS-QWRGUYRKSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC1 643467289 352957508 /nfs/dbraw/zinc/95/75/08/352957508.db2.gz VYKRVPDGWVYHIE-WCABBAIRSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)C1CC1 643468381 352957818 /nfs/dbraw/zinc/95/78/18/352957818.db2.gz ZPWHMYJKPFSBRM-CKYFFXLPSA-N 2 1 196.338 1.620 20 0 ADADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC1 643468384 352957865 /nfs/dbraw/zinc/95/78/65/352957865.db2.gz ZPWHMYJKPFSBRM-UMNHJUIQSA-N 2 1 196.338 1.620 20 0 ADADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)C1CC1 643468382 352958114 /nfs/dbraw/zinc/95/81/14/352958114.db2.gz ZPWHMYJKPFSBRM-FOGDFJRCSA-N 2 1 196.338 1.620 20 0 ADADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 643468383 352958192 /nfs/dbraw/zinc/95/81/92/352958192.db2.gz ZPWHMYJKPFSBRM-HOSYDEDBSA-N 2 1 196.338 1.620 20 0 ADADMP Cc1occc1C[NH2+][C@@H](C)C1C[NH2+]C1 643472259 352959661 /nfs/dbraw/zinc/95/96/61/352959661.db2.gz NKWWIJHGPBIHEU-QMMMGPOBSA-N 2 1 194.278 1.286 20 0 ADADMP Cc1occc1C[NH2+][C@H](C)C1C[NH2+]C1 643472258 352959918 /nfs/dbraw/zinc/95/99/18/352959918.db2.gz NKWWIJHGPBIHEU-MRVPVSSYSA-N 2 1 194.278 1.286 20 0 ADADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccoc1 643474761 352960686 /nfs/dbraw/zinc/96/06/86/352960686.db2.gz GJPIWVVBUGQELO-SECBINFHSA-N 2 1 194.278 1.682 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 643478381 352960735 /nfs/dbraw/zinc/96/07/35/352960735.db2.gz OXUHKTQHPCAIHL-GMTAPVOTSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 643478383 352960876 /nfs/dbraw/zinc/96/08/76/352960876.db2.gz OXUHKTQHPCAIHL-OUAUKWLOSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 643478382 352960914 /nfs/dbraw/zinc/96/09/14/352960914.db2.gz OXUHKTQHPCAIHL-MXWKQRLJSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccoc1 643474762 352960987 /nfs/dbraw/zinc/96/09/87/352960987.db2.gz GJPIWVVBUGQELO-VIFPVBQESA-N 2 1 194.278 1.682 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC1(C)C 643478475 352961487 /nfs/dbraw/zinc/96/14/87/352961487.db2.gz WZFFQBAGXAEQFQ-KXUCPTDWSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@H]1CCC[NH2+]1 643478491 352961634 /nfs/dbraw/zinc/96/16/34/352961634.db2.gz YUSNTKNVPRDZSI-BBBLOLIVSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 643478494 352961651 /nfs/dbraw/zinc/96/16/51/352961651.db2.gz YUSNTKNVPRDZSI-UTLUCORTSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CCC[NH2+]1 643478493 352961691 /nfs/dbraw/zinc/96/16/91/352961691.db2.gz YUSNTKNVPRDZSI-OPRDCNLKSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC1(C)C 643478476 352961802 /nfs/dbraw/zinc/96/18/02/352961802.db2.gz WZFFQBAGXAEQFQ-OPRDCNLKSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 643478384 352961832 /nfs/dbraw/zinc/96/18/32/352961832.db2.gz OXUHKTQHPCAIHL-VWYCJHECSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC1(C)C 643478474 352961906 /nfs/dbraw/zinc/96/19/06/352961906.db2.gz WZFFQBAGXAEQFQ-BBBLOLIVSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC1(C)C 643478477 352961982 /nfs/dbraw/zinc/96/19/82/352961982.db2.gz WZFFQBAGXAEQFQ-UTLUCORTSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 643478492 352961986 /nfs/dbraw/zinc/96/19/86/352961986.db2.gz YUSNTKNVPRDZSI-KXUCPTDWSA-N 2 1 182.311 1.515 20 0 ADADMP CC(C)=CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643484518 352962537 /nfs/dbraw/zinc/96/25/37/352962537.db2.gz PPVFXKFFIYCUHN-VXGBXAGGSA-N 2 1 196.338 1.930 20 0 ADADMP CC(C)=CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C 643484515 352962834 /nfs/dbraw/zinc/96/28/34/352962834.db2.gz PPVFXKFFIYCUHN-NEPJUHHUSA-N 2 1 196.338 1.930 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC1(C)CC1 643486466 352963347 /nfs/dbraw/zinc/96/33/47/352963347.db2.gz JSPWPMWSUGORIP-QWRGUYRKSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C)CC1 643486467 352963589 /nfs/dbraw/zinc/96/35/89/352963589.db2.gz JSPWPMWSUGORIP-WDEREUQCSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC1(C)CC1 643486464 352963744 /nfs/dbraw/zinc/96/37/44/352963744.db2.gz JSPWPMWSUGORIP-GHMZBOCLSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC1(C)C 643489239 352964198 /nfs/dbraw/zinc/96/41/98/352964198.db2.gz HNIHEHZGMBUZEV-VWYCJHECSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCC1(C)C 643489236 352964416 /nfs/dbraw/zinc/96/44/16/352964416.db2.gz HNIHEHZGMBUZEV-GMTAPVOTSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC1(C)C 643489238 352964660 /nfs/dbraw/zinc/96/46/60/352964660.db2.gz HNIHEHZGMBUZEV-OUAUKWLOSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCC1(C)C 643489237 352964669 /nfs/dbraw/zinc/96/46/69/352964669.db2.gz HNIHEHZGMBUZEV-MXWKQRLJSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 643492615 352966057 /nfs/dbraw/zinc/96/60/57/352966057.db2.gz UTPCYYYLTZRZEA-WHOHXGKFSA-N 2 1 196.338 1.620 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 643492614 352966079 /nfs/dbraw/zinc/96/60/79/352966079.db2.gz UTPCYYYLTZRZEA-USZNOCQGSA-N 2 1 196.338 1.620 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@H]1C[NH2+]CC[C@H]1C 643492617 352966162 /nfs/dbraw/zinc/96/61/62/352966162.db2.gz UTPCYYYLTZRZEA-WYUUTHIRSA-N 2 1 196.338 1.620 20 0 ADADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H](C)C1CC1 643492164 352966170 /nfs/dbraw/zinc/96/61/70/352966170.db2.gz VYKRVPDGWVYHIE-NGZCFLSTSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 643492160 352966279 /nfs/dbraw/zinc/96/62/79/352966279.db2.gz VYKRVPDGWVYHIE-ATZCPNFKSA-N 2 1 182.311 1.373 20 0 ADADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+][C@H](C)C1CC1 643492161 352966489 /nfs/dbraw/zinc/96/64/89/352966489.db2.gz VYKRVPDGWVYHIE-IQJOONFLSA-N 2 1 182.311 1.373 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 643492616 352966501 /nfs/dbraw/zinc/96/65/01/352966501.db2.gz UTPCYYYLTZRZEA-WISYIIOYSA-N 2 1 196.338 1.620 20 0 ADADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)C1CC1 643492165 352966524 /nfs/dbraw/zinc/96/65/24/352966524.db2.gz VYKRVPDGWVYHIE-QXEWZRGKSA-N 2 1 182.311 1.373 20 0 ADADMP CC(C)=CCC[C@H](C)[NH2+]CC[NH3+] 643495574 352967875 /nfs/dbraw/zinc/96/78/75/352967875.db2.gz YAAMMWWFSGJFCA-JTQLQIEISA-N 2 1 170.300 1.670 20 0 ADADMP C[C@H](CC1CCCC1)[NH2+]CC[NH3+] 643495687 352967973 /nfs/dbraw/zinc/96/79/73/352967973.db2.gz GDXQGTSHVKNRGG-SECBINFHSA-N 2 1 170.300 1.504 20 0 ADADMP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[NH3+] 643495677 352967978 /nfs/dbraw/zinc/96/79/78/352967978.db2.gz DMLCHJSOEKGAQH-NXEZZACHSA-N 2 1 172.316 1.750 20 0 ADADMP CCCC[C@H]1CCC[C@H]1[NH2+]CC[NH3+] 643495705 352968011 /nfs/dbraw/zinc/96/80/11/352968011.db2.gz KNPBNIDHZIZFHY-WDEREUQCSA-N 2 1 184.327 1.894 20 0 ADADMP C[C@@H](CC1CCCC1)[NH2+]CC[NH3+] 643495688 352968120 /nfs/dbraw/zinc/96/81/20/352968120.db2.gz GDXQGTSHVKNRGG-VIFPVBQESA-N 2 1 170.300 1.504 20 0 ADADMP CCC[C@H](C)[C@@H](CC)[NH2+]CC[NH3+] 643495679 352968204 /nfs/dbraw/zinc/96/82/04/352968204.db2.gz DMLCHJSOEKGAQH-VHSXEESVSA-N 2 1 172.316 1.750 20 0 ADADMP CCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH3+] 643495702 352968153 /nfs/dbraw/zinc/96/81/53/352968153.db2.gz KNPBNIDHZIZFHY-GHMZBOCLSA-N 2 1 184.327 1.894 20 0 ADADMP CCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH3+] 643495703 352968238 /nfs/dbraw/zinc/96/82/38/352968238.db2.gz KNPBNIDHZIZFHY-MNOVXSKESA-N 2 1 184.327 1.894 20 0 ADADMP CC(C)=CCC[C@@H](C)[NH2+]CC[NH3+] 643495575 352968320 /nfs/dbraw/zinc/96/83/20/352968320.db2.gz YAAMMWWFSGJFCA-SNVBAGLBSA-N 2 1 170.300 1.670 20 0 ADADMP CCC1(C)CCC([NH2+]CC[NH3+])CC1 643495681 352968325 /nfs/dbraw/zinc/96/83/25/352968325.db2.gz FPPWIDWMOSCJHP-UHFFFAOYSA-N 2 1 184.327 1.894 20 0 ADADMP CCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH3+] 643495704 352968353 /nfs/dbraw/zinc/96/83/53/352968353.db2.gz KNPBNIDHZIZFHY-QWRGUYRKSA-N 2 1 184.327 1.894 20 0 ADADMP CCC[C@H](C)[C@H](CC)[NH2+]CC[NH3+] 643495678 352968410 /nfs/dbraw/zinc/96/84/10/352968410.db2.gz DMLCHJSOEKGAQH-UWVGGRQHSA-N 2 1 172.316 1.750 20 0 ADADMP CCC[C@@H](C)[C@H](CC)[NH2+]CC[NH3+] 643495680 352968553 /nfs/dbraw/zinc/96/85/53/352968553.db2.gz DMLCHJSOEKGAQH-ZJUUUORDSA-N 2 1 172.316 1.750 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[C@@H](C)[NH2+]CC[NH3+] 643496159 352969015 /nfs/dbraw/zinc/96/90/15/352969015.db2.gz HKDLSZQWFXYFFR-MXWKQRLJSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC[NH3+] 643495779 352968986 /nfs/dbraw/zinc/96/89/86/352968986.db2.gz GJHGLUWZEORIMB-MNOVXSKESA-N 2 1 186.343 1.996 20 0 ADADMP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[NH3+] 643495726 352968996 /nfs/dbraw/zinc/96/89/96/352968996.db2.gz ROKQUQYIUBTDQZ-NXEZZACHSA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]CC[NH2+][C@H](C1CCCC1)C1CC1 643496170 352969003 /nfs/dbraw/zinc/96/90/03/352969003.db2.gz JGOIBBNZGVDAFB-LLVKDONJSA-N 2 1 182.311 1.504 20 0 ADADMP CCC(C)(C)[C@H](C)[NH2+]CC[NH3+] 643496169 352969007 /nfs/dbraw/zinc/96/90/07/352969007.db2.gz IKJQWCBJBDTEGQ-QMMMGPOBSA-N 2 1 158.289 1.359 20 0 ADADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[NH3+] 643495729 352969034 /nfs/dbraw/zinc/96/90/34/352969034.db2.gz ROKQUQYIUBTDQZ-ZJUUUORDSA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@H]1C1CCC1 643495767 352969048 /nfs/dbraw/zinc/96/90/48/352969048.db2.gz FBYPPWIBQNSWSX-VHSXEESVSA-N 2 1 168.284 1.113 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])C1C(C)(C)C1(C)C 643495732 352969077 /nfs/dbraw/zinc/96/90/77/352969077.db2.gz SUEZYVPCEPPPPY-QMMMGPOBSA-N 2 1 184.327 1.605 20 0 ADADMP CCCC[C@H](C)[C@@H](C)[NH2+]CC[NH3+] 643495771 352969091 /nfs/dbraw/zinc/96/90/91/352969091.db2.gz FSULNJYKQHIYNP-VHSXEESVSA-N 2 1 172.316 1.750 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCCC[C@H]1C1CC1 643495846 352969115 /nfs/dbraw/zinc/96/91/15/352969115.db2.gz SKLNGTFAVBPOCA-QWRGUYRKSA-N 2 1 182.311 1.504 20 0 ADADMP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[NH3+] 643495781 352969121 /nfs/dbraw/zinc/96/91/21/352969121.db2.gz GJHGLUWZEORIMB-WDEREUQCSA-N 2 1 186.343 1.996 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@H]1C1CC1 643495847 352969127 /nfs/dbraw/zinc/96/91/27/352969127.db2.gz SKLNGTFAVBPOCA-WDEREUQCSA-N 2 1 182.311 1.504 20 0 ADADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH3+] 643495794 352969134 /nfs/dbraw/zinc/96/91/34/352969134.db2.gz JNRMXMJTRPHZOR-MXWKQRLJSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH3+] 643495792 352969141 /nfs/dbraw/zinc/96/91/41/352969141.db2.gz JNRMXMJTRPHZOR-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCC[C@H]1CCCF 643495813 352969147 /nfs/dbraw/zinc/96/91/47/352969147.db2.gz MTJCPTCHSUQYTI-UWVGGRQHSA-N 2 1 188.290 1.453 20 0 ADADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[NH3+] 643495749 352969165 /nfs/dbraw/zinc/96/91/65/352969165.db2.gz ZBPHNEDJTJEAAO-AXFHLTTASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](CCc1ccsc1)[NH2+]CC[NH3+] 643495858 352969188 /nfs/dbraw/zinc/96/91/88/352969188.db2.gz WVLOEKQYNFHEEV-VIFPVBQESA-N 2 1 198.335 1.618 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643495765 352969200 /nfs/dbraw/zinc/96/92/00/352969200.db2.gz FBYPPWIBQNSWSX-NXEZZACHSA-N 2 1 168.284 1.113 20 0 ADADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[NH3+] 643495728 352969210 /nfs/dbraw/zinc/96/92/10/352969210.db2.gz ROKQUQYIUBTDQZ-VHSXEESVSA-N 2 1 170.300 1.359 20 0 ADADMP [NH3+]CC[NH2+][C@@H](C1CCCC1)C1CC1 643496171 352969231 /nfs/dbraw/zinc/96/92/31/352969231.db2.gz JGOIBBNZGVDAFB-NSHDSACASA-N 2 1 182.311 1.504 20 0 ADADMP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[NH3+] 643495769 352969244 /nfs/dbraw/zinc/96/92/44/352969244.db2.gz FSULNJYKQHIYNP-NXEZZACHSA-N 2 1 172.316 1.750 20 0 ADADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH3+] 643495750 352969263 /nfs/dbraw/zinc/96/92/63/352969263.db2.gz ZBPHNEDJTJEAAO-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH3+] 643495752 352969272 /nfs/dbraw/zinc/96/92/72/352969272.db2.gz ZBPHNEDJTJEAAO-MXWKQRLJSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H](Cc1cccs1)[NH2+]CC[NH3+] 643495744 352969303 /nfs/dbraw/zinc/96/93/03/352969303.db2.gz VRVJJUWRKURYJR-VIFPVBQESA-N 2 1 198.335 1.618 20 0 ADADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH3+] 643495791 352969333 /nfs/dbraw/zinc/96/93/33/352969333.db2.gz JNRMXMJTRPHZOR-AXFHLTTASA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[NH3+] 643495727 352969340 /nfs/dbraw/zinc/96/93/40/352969340.db2.gz ROKQUQYIUBTDQZ-UWVGGRQHSA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[NH3+] 643495780 352969347 /nfs/dbraw/zinc/96/93/47/352969347.db2.gz GJHGLUWZEORIMB-QWRGUYRKSA-N 2 1 186.343 1.996 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CC[C@H]1C1CCC1 643495766 352969388 /nfs/dbraw/zinc/96/93/88/352969388.db2.gz FBYPPWIBQNSWSX-UWVGGRQHSA-N 2 1 168.284 1.113 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 643495844 352969413 /nfs/dbraw/zinc/96/94/13/352969413.db2.gz SKLNGTFAVBPOCA-GHMZBOCLSA-N 2 1 182.311 1.504 20 0 ADADMP C[C@@H]([NH2+]CC[NH3+])C1C(C)(C)C1(C)C 643495731 352969420 /nfs/dbraw/zinc/96/94/20/352969420.db2.gz SUEZYVPCEPPPPY-MRVPVSSYSA-N 2 1 184.327 1.605 20 0 ADADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[NH3+] 643495751 352969461 /nfs/dbraw/zinc/96/94/61/352969461.db2.gz ZBPHNEDJTJEAAO-HBNTYKKESA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[C@@H](C)[C@H](C)[NH2+]CC[NH3+] 643495772 352969499 /nfs/dbraw/zinc/96/94/99/352969499.db2.gz FSULNJYKQHIYNP-ZJUUUORDSA-N 2 1 172.316 1.750 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCC[C@H]1CCCF 643495814 352969541 /nfs/dbraw/zinc/96/95/41/352969541.db2.gz MTJCPTCHSUQYTI-VHSXEESVSA-N 2 1 188.290 1.453 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CCC[C@@H]1CCCF 643495812 352969565 /nfs/dbraw/zinc/96/95/65/352969565.db2.gz MTJCPTCHSUQYTI-NXEZZACHSA-N 2 1 188.290 1.453 20 0 ADADMP CC[C@H](Cc1cccs1)[NH2+]CC[NH3+] 643495743 352969576 /nfs/dbraw/zinc/96/95/76/352969576.db2.gz VRVJJUWRKURYJR-SECBINFHSA-N 2 1 198.335 1.618 20 0 ADADMP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC[NH3+] 643495778 352969640 /nfs/dbraw/zinc/96/96/40/352969640.db2.gz GJHGLUWZEORIMB-GHMZBOCLSA-N 2 1 186.343 1.996 20 0 ADADMP C[C@H](CCc1ccsc1)[NH2+]CC[NH3+] 643495857 352969648 /nfs/dbraw/zinc/96/96/48/352969648.db2.gz WVLOEKQYNFHEEV-SECBINFHSA-N 2 1 198.335 1.618 20 0 ADADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[NH3+] 643495793 352969659 /nfs/dbraw/zinc/96/96/59/352969659.db2.gz JNRMXMJTRPHZOR-HBNTYKKESA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[C@H](C)[C@H](C)[NH2+]CC[NH3+] 643495770 352969668 /nfs/dbraw/zinc/96/96/68/352969668.db2.gz FSULNJYKQHIYNP-UWVGGRQHSA-N 2 1 172.316 1.750 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])[C@@H]1CCCC[C@H]1C 643496160 352969675 /nfs/dbraw/zinc/96/96/75/352969675.db2.gz HKDLSZQWFXYFFR-OUAUKWLOSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](CCC1CCCC1)[NH2+]CC[NH3+] 643495716 352969685 /nfs/dbraw/zinc/96/96/85/352969685.db2.gz OLEJSEBXWWINQV-JTQLQIEISA-N 2 1 184.327 1.894 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CCC[C@@H]1CCCF 643495815 352969701 /nfs/dbraw/zinc/96/97/01/352969701.db2.gz MTJCPTCHSUQYTI-ZJUUUORDSA-N 2 1 188.290 1.453 20 0 ADADMP [NH3+]CC[NH2+][C@H]1CC[C@@H]1C1CCC1 643495768 352969722 /nfs/dbraw/zinc/96/97/22/352969722.db2.gz FBYPPWIBQNSWSX-ZJUUUORDSA-N 2 1 168.284 1.113 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])[C@H]1CCCC[C@H]1C 643496161 352969733 /nfs/dbraw/zinc/96/97/33/352969733.db2.gz HKDLSZQWFXYFFR-VWYCJHECSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]1CCCC[C@H]1[C@@H](C)[NH2+]CC[NH3+] 643496158 352969774 /nfs/dbraw/zinc/96/97/74/352969774.db2.gz HKDLSZQWFXYFFR-GMTAPVOTSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H](CCC1CCCC1)[NH2+]CC[NH3+] 643495717 352969785 /nfs/dbraw/zinc/96/97/85/352969785.db2.gz OLEJSEBXWWINQV-SNVBAGLBSA-N 2 1 184.327 1.894 20 0 ADADMP CCC(C)(C)[C@@H](C)[NH2+]CC[NH3+] 643496168 352969793 /nfs/dbraw/zinc/96/97/93/352969793.db2.gz IKJQWCBJBDTEGQ-MRVPVSSYSA-N 2 1 158.289 1.359 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1C 643497222 352970962 /nfs/dbraw/zinc/97/09/62/352970962.db2.gz WTIZDLWKXMIRFJ-QCNOEVLYSA-N 2 1 196.338 1.763 20 0 ADADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(C)o1 643498275 352970979 /nfs/dbraw/zinc/97/09/79/352970979.db2.gz MRBXAUNDKOKLAD-JTQLQIEISA-N 2 1 196.294 1.848 20 0 ADADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(C)o1 643498276 352971015 /nfs/dbraw/zinc/97/10/15/352971015.db2.gz MRBXAUNDKOKLAD-SNVBAGLBSA-N 2 1 196.294 1.848 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 643497179 352971019 /nfs/dbraw/zinc/97/10/19/352971019.db2.gz LIKSRDFOWDAUAR-GMTAPVOTSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1C 643497223 352971041 /nfs/dbraw/zinc/97/10/41/352971041.db2.gz WTIZDLWKXMIRFJ-USZNOCQGSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 643497181 352971064 /nfs/dbraw/zinc/97/10/64/352971064.db2.gz LIKSRDFOWDAUAR-OUAUKWLOSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1C 643497221 352971071 /nfs/dbraw/zinc/97/10/71/352971071.db2.gz WTIZDLWKXMIRFJ-KKOKHZNYSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1C[C@H]1C 643497224 352971095 /nfs/dbraw/zinc/97/10/95/352971095.db2.gz WTIZDLWKXMIRFJ-WYUUTHIRSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 643497182 352971242 /nfs/dbraw/zinc/97/12/42/352971242.db2.gz LIKSRDFOWDAUAR-VWYCJHECSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 643497180 352971374 /nfs/dbraw/zinc/97/13/74/352971374.db2.gz LIKSRDFOWDAUAR-MXWKQRLJSA-N 2 1 182.311 1.517 20 0 ADADMP CC[NH2+]CCC[NH2+][C@H](C)c1cn[nH]c1 643499168 352972844 /nfs/dbraw/zinc/97/28/44/352972844.db2.gz CVCOZFONMLRMDZ-SECBINFHSA-N 2 1 196.298 1.060 20 0 ADADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccoc1 643498901 352972866 /nfs/dbraw/zinc/97/28/66/352972866.db2.gz UKTMKDMLDUCONF-SNVBAGLBSA-N 2 1 196.294 1.930 20 0 ADADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cn[nH]c1 643499169 352972885 /nfs/dbraw/zinc/97/28/85/352972885.db2.gz CVCOZFONMLRMDZ-VIFPVBQESA-N 2 1 196.298 1.060 20 0 ADADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccoc1 643498900 352972891 /nfs/dbraw/zinc/97/28/91/352972891.db2.gz UKTMKDMLDUCONF-JTQLQIEISA-N 2 1 196.294 1.930 20 0 ADADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccco1 643498750 352972905 /nfs/dbraw/zinc/97/29/05/352972905.db2.gz QAPVQGGTYXSCGT-SNVBAGLBSA-N 2 1 196.294 1.930 20 0 ADADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccco1 643498749 352973058 /nfs/dbraw/zinc/97/30/58/352973058.db2.gz QAPVQGGTYXSCGT-JTQLQIEISA-N 2 1 196.294 1.930 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 643502590 352973695 /nfs/dbraw/zinc/97/36/95/352973695.db2.gz KVUWCMDYVVVTEF-UTUOFQBUSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 643502589 352973716 /nfs/dbraw/zinc/97/37/16/352973716.db2.gz KVUWCMDYVVVTEF-IJLUTSLNSA-N 2 1 196.338 1.907 20 0 ADADMP C1CC([C@@H]2CC[C@H]2[NH2+][C@H]2CC[NH2+]C2)C1 643499638 352973764 /nfs/dbraw/zinc/97/37/64/352973764.db2.gz AZTGQZOHLIXMHQ-SDDRHHMPSA-N 2 1 194.322 1.517 20 0 ADADMP C1CC([C@@H]2CC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)C1 643499639 352973831 /nfs/dbraw/zinc/97/38/31/352973831.db2.gz AZTGQZOHLIXMHQ-SRVKXCTJSA-N 2 1 194.322 1.517 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 643502588 352973842 /nfs/dbraw/zinc/97/38/42/352973842.db2.gz KVUWCMDYVVVTEF-GRYCIOLGSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 643499849 352973911 /nfs/dbraw/zinc/97/39/11/352973911.db2.gz SLKXZAWFJDBXNK-KXUCPTDWSA-N 2 1 168.284 1.127 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 643499850 352973950 /nfs/dbraw/zinc/97/39/50/352973950.db2.gz SLKXZAWFJDBXNK-UTLUCORTSA-N 2 1 168.284 1.127 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 643502591 352974020 /nfs/dbraw/zinc/97/40/20/352974020.db2.gz KVUWCMDYVVVTEF-WOPDTQHZSA-N 2 1 196.338 1.907 20 0 ADADMP C[NH2+]CC[NH2+]C1[C@@H](C)CCC[C@@H]1C 643504444 352974662 /nfs/dbraw/zinc/97/46/62/352974662.db2.gz MLBAOHCWQPJILQ-UWVGGRQHSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C 643504443 352974822 /nfs/dbraw/zinc/97/48/22/352974822.db2.gz MLBAOHCWQPJILQ-URLYPYJESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)C1CCCC1 643504415 352974890 /nfs/dbraw/zinc/97/48/90/352974890.db2.gz DTYOMQHYEXUTGB-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)C1CCCC1 643504414 352974941 /nfs/dbraw/zinc/97/49/41/352974941.db2.gz DTYOMQHYEXUTGB-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+]C1[C@H](C)CCC[C@H]1C 643504442 352975102 /nfs/dbraw/zinc/97/51/02/352975102.db2.gz MLBAOHCWQPJILQ-NXEZZACHSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC12CCC2 643504575 352975594 /nfs/dbraw/zinc/97/55/94/352975594.db2.gz JQHMODSNZHMUGP-SNVBAGLBSA-N 2 1 182.311 1.518 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC12CCC2 643504574 352975638 /nfs/dbraw/zinc/97/56/38/352975638.db2.gz JQHMODSNZHMUGP-JTQLQIEISA-N 2 1 182.311 1.518 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C1CCCC1)C1CC1 643504518 352975649 /nfs/dbraw/zinc/97/56/49/352975649.db2.gz BKPLCZCFKDXYSY-LBPRGKRZSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CCC=C(C)C 643504491 352975699 /nfs/dbraw/zinc/97/56/99/352975699.db2.gz XTFGPBWPMGHVJD-LLVKDONJSA-N 2 1 184.327 1.930 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC12CCCC2 643504593 352975721 /nfs/dbraw/zinc/97/57/21/352975721.db2.gz MCCLRXXMGNIYAO-NSHDSACASA-N 2 1 196.338 1.908 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C1CCC1)C1CC1 643504576 352975729 /nfs/dbraw/zinc/97/57/29/352975729.db2.gz KDCCTYWBBNYYQY-LLVKDONJSA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C1CCC1)C1CC1 643504577 352975785 /nfs/dbraw/zinc/97/57/85/352975785.db2.gz KDCCTYWBBNYYQY-NSHDSACASA-N 2 1 182.311 1.374 20 0 ADADMP CC[C@@H]([NH2+]CC[NH2+]C)C1CCC1 643504591 352975791 /nfs/dbraw/zinc/97/57/91/352975791.db2.gz LSKHEXJPUYFEBQ-SNVBAGLBSA-N 2 1 170.300 1.374 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)[C@@H]1C[C@H]1C 643504561 352975836 /nfs/dbraw/zinc/97/58/36/352975836.db2.gz HXRMQMSOSXGYKD-BBBLOLIVSA-N 2 1 170.300 1.230 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)[C@H]1C[C@H]1C 643504563 352975866 /nfs/dbraw/zinc/97/58/66/352975866.db2.gz HXRMQMSOSXGYKD-UTLUCORTSA-N 2 1 170.300 1.230 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)C(C)(C)C 643504486 352975878 /nfs/dbraw/zinc/97/58/78/352975878.db2.gz XDQXGEUUBNVXCI-QMMMGPOBSA-N 2 1 158.289 1.230 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)Cc1cccs1 643504479 352975899 /nfs/dbraw/zinc/97/58/99/352975899.db2.gz WVLJIYMBJKGJMZ-SECBINFHSA-N 2 1 198.335 1.488 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CC[C@@H]1C1CCC1 643504551 352975924 /nfs/dbraw/zinc/97/59/24/352975924.db2.gz FZXFBUXITPAXIJ-MNOVXSKESA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC12CCC2 643504572 352975934 /nfs/dbraw/zinc/97/59/34/352975934.db2.gz JQHJKTDSYDFRQA-SECBINFHSA-N 2 1 168.284 1.128 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC12CCCC2 643504592 352975962 /nfs/dbraw/zinc/97/59/62/352975962.db2.gz MCCLRXXMGNIYAO-LLVKDONJSA-N 2 1 196.338 1.908 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CCC=C(C)C 643504492 352975985 /nfs/dbraw/zinc/97/59/85/352975985.db2.gz XTFGPBWPMGHVJD-NSHDSACASA-N 2 1 184.327 1.930 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@H]1C1CCC1 643504553 352976072 /nfs/dbraw/zinc/97/60/72/352976072.db2.gz FZXFBUXITPAXIJ-WDEREUQCSA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC12CCC2 643504573 352976079 /nfs/dbraw/zinc/97/60/79/352976079.db2.gz JQHJKTDSYDFRQA-VIFPVBQESA-N 2 1 168.284 1.128 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643504550 352976084 /nfs/dbraw/zinc/97/60/84/352976084.db2.gz FZXFBUXITPAXIJ-GHMZBOCLSA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)Cc1cccs1 643504480 352976098 /nfs/dbraw/zinc/97/60/98/352976098.db2.gz WVLJIYMBJKGJMZ-VIFPVBQESA-N 2 1 198.335 1.488 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CC[C@H]1C1CCC1 643504552 352976104 /nfs/dbraw/zinc/97/61/04/352976104.db2.gz FZXFBUXITPAXIJ-QWRGUYRKSA-N 2 1 182.311 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)CCc1ccco1 643504500 352976114 /nfs/dbraw/zinc/97/61/14/352976114.db2.gz YMLJTKYGENRGOC-SNVBAGLBSA-N 2 1 196.294 1.410 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)CCc1ccco1 643504499 352976129 /nfs/dbraw/zinc/97/61/29/352976129.db2.gz YMLJTKYGENRGOC-JTQLQIEISA-N 2 1 196.294 1.410 20 0 ADADMP C[NH2+]CC[NH2+]C1CCC2(CC1)CC2 643504545 352976133 /nfs/dbraw/zinc/97/61/33/352976133.db2.gz FUQXTXFNEMMMHP-UHFFFAOYSA-N 2 1 182.311 1.518 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)[C@H]1C[C@@H]1C 643504562 352976138 /nfs/dbraw/zinc/97/61/38/352976138.db2.gz HXRMQMSOSXGYKD-GUBZILKMSA-N 2 1 170.300 1.230 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)C(C)(C)C 643504485 352976166 /nfs/dbraw/zinc/97/61/66/352976166.db2.gz XDQXGEUUBNVXCI-MRVPVSSYSA-N 2 1 158.289 1.230 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C1CCCC1)C1CC1 643504517 352976178 /nfs/dbraw/zinc/97/61/78/352976178.db2.gz BKPLCZCFKDXYSY-GFCCVEGCSA-N 2 1 196.338 1.764 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)[C@@H]1C[C@@H]1C 643504560 352976182 /nfs/dbraw/zinc/97/61/82/352976182.db2.gz HXRMQMSOSXGYKD-AEJSXWLSSA-N 2 1 170.300 1.230 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)C1CCC1 643504590 352976220 /nfs/dbraw/zinc/97/62/20/352976220.db2.gz LSKHEXJPUYFEBQ-JTQLQIEISA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C 643504643 352976584 /nfs/dbraw/zinc/97/65/84/352976584.db2.gz UFOSWLKZBTWPOV-HBNTYKKESA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C(C)C)C1CC1 643504716 352976592 /nfs/dbraw/zinc/97/65/92/352976592.db2.gz BNWRUFYOGKNVSW-JTQLQIEISA-N 2 1 170.300 1.230 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C 643504659 352976616 /nfs/dbraw/zinc/97/66/16/352976616.db2.gz UQKVPRYGEGZPPC-VHSXEESVSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C 643504644 352976653 /nfs/dbraw/zinc/97/66/53/352976653.db2.gz UFOSWLKZBTWPOV-OUAUKWLOSA-N 2 1 184.327 1.620 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C 643504847 352976689 /nfs/dbraw/zinc/97/66/89/352976689.db2.gz WXHADAYRCHHIDR-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C 643504642 352976705 /nfs/dbraw/zinc/97/67/05/352976705.db2.gz UFOSWLKZBTWPOV-GMTAPVOTSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C 643504658 352976711 /nfs/dbraw/zinc/97/67/11/352976711.db2.gz UQKVPRYGEGZPPC-UWVGGRQHSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C 643504641 352976721 /nfs/dbraw/zinc/97/67/21/352976721.db2.gz UFOSWLKZBTWPOV-GARJFASQSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCCC(C)(C)C1 643504782 352976728 /nfs/dbraw/zinc/97/67/28/352976728.db2.gz NZRDUCQHSIEHGB-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C)C1C(C)(C)C1(C)C 643504805 352976758 /nfs/dbraw/zinc/97/67/58/352976758.db2.gz SSNVSGYHJYMVTJ-SECBINFHSA-N 2 1 198.354 1.866 20 0 ADADMP CCC(C)(C)[C@@H](C)[NH2+]CC[NH2+]C 643504620 352976770 /nfs/dbraw/zinc/97/67/70/352976770.db2.gz PKBUZXGNSAAWGE-SECBINFHSA-N 2 1 172.316 1.620 20 0 ADADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]C 643504777 352976825 /nfs/dbraw/zinc/97/68/25/352976825.db2.gz NVWGIMCUOMJJNT-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CC(C)(C)C[C@H]1C 643504660 352976837 /nfs/dbraw/zinc/97/68/37/352976837.db2.gz UQKVPRYGEGZPPC-ZJUUUORDSA-N 2 1 184.327 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CCC12CCCC2 643504631 352976855 /nfs/dbraw/zinc/97/68/55/352976855.db2.gz RTKWERSGCUHEFG-SNVBAGLBSA-N 2 1 182.311 1.518 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@H]1CC 643505194 352976921 /nfs/dbraw/zinc/97/69/21/352976921.db2.gz AXKVZZXNUBNLBX-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C 643504849 352976899 /nfs/dbraw/zinc/97/68/99/352976899.db2.gz WXHADAYRCHHIDR-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@@H](C)C1C(C)(C)C1(C)C 643504806 352976929 /nfs/dbraw/zinc/97/69/29/352976929.db2.gz SSNVSGYHJYMVTJ-VIFPVBQESA-N 2 1 198.354 1.866 20 0 ADADMP CCC(C)(C)[C@H](C)[NH2+]CC[NH2+]C 643504621 352976948 /nfs/dbraw/zinc/97/69/48/352976948.db2.gz PKBUZXGNSAAWGE-VIFPVBQESA-N 2 1 172.316 1.620 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCCC(C)(C)C1 643504781 352976962 /nfs/dbraw/zinc/97/69/62/352976962.db2.gz NZRDUCQHSIEHGB-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C 643504778 352976980 /nfs/dbraw/zinc/97/69/80/352976980.db2.gz NVWGIMCUOMJJNT-MNOVXSKESA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@H]1CCC12CCCC2 643504630 352976984 /nfs/dbraw/zinc/97/69/84/352976984.db2.gz RTKWERSGCUHEFG-JTQLQIEISA-N 2 1 182.311 1.518 20 0 ADADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C 643504779 352976992 /nfs/dbraw/zinc/97/69/92/352976992.db2.gz NVWGIMCUOMJJNT-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP CC[C@@H]([NH2+]CC[NH2+]C)C1CCCC1 643504684 352977034 /nfs/dbraw/zinc/97/70/34/352977034.db2.gz XQTMRYXRXBQKGA-LLVKDONJSA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643504657 352977038 /nfs/dbraw/zinc/97/70/38/352977038.db2.gz UQKVPRYGEGZPPC-NXEZZACHSA-N 2 1 184.327 1.620 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C 643504848 352977061 /nfs/dbraw/zinc/97/70/61/352977061.db2.gz WXHADAYRCHHIDR-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP C[NH2+]CC[NH2+][C@H](C(C)C)C1CC1 643504717 352977090 /nfs/dbraw/zinc/97/70/90/352977090.db2.gz BNWRUFYOGKNVSW-SNVBAGLBSA-N 2 1 170.300 1.230 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C)C1CCCC1 643504685 352977157 /nfs/dbraw/zinc/97/71/57/352977157.db2.gz XQTMRYXRXBQKGA-NSHDSACASA-N 2 1 184.327 1.764 20 0 ADADMP CCC[C@H]([NH2+]CC[NH2+]C)C1CCC1 643504667 352977162 /nfs/dbraw/zinc/97/71/62/352977162.db2.gz VTUAWUJSEXWFQK-NSHDSACASA-N 2 1 184.327 1.764 20 0 ADADMP C[NH2+]CC[NH2+]C(C1CCC1)C1CCC1 643504636 352977166 /nfs/dbraw/zinc/97/71/66/352977166.db2.gz TWPWKFUUCFTSOT-UHFFFAOYSA-N 2 1 196.338 1.764 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C 643504850 352977198 /nfs/dbraw/zinc/97/71/98/352977198.db2.gz WXHADAYRCHHIDR-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1CC 643505193 352977205 /nfs/dbraw/zinc/97/72/05/352977205.db2.gz AXKVZZXNUBNLBX-GHMZBOCLSA-N 2 1 184.327 1.764 20 0 ADADMP CCC[C@@H]([NH2+]CC[NH2+]C)C1CCC1 643504666 352977250 /nfs/dbraw/zinc/97/72/50/352977250.db2.gz VTUAWUJSEXWFQK-LLVKDONJSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC12CCC2 643505431 352977559 /nfs/dbraw/zinc/97/75/59/352977559.db2.gz GEKIVIFHSUAMMI-JTQLQIEISA-N 2 1 182.311 1.518 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)C(C)(C)C 643505210 352977578 /nfs/dbraw/zinc/97/75/78/352977578.db2.gz IZKITJOOTRHWBA-SECBINFHSA-N 2 1 172.316 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)C1CCC1 643505434 352977646 /nfs/dbraw/zinc/97/76/46/352977646.db2.gz IALKSIMCVDNXFC-LLVKDONJSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC12CCCC2 643505429 352977668 /nfs/dbraw/zinc/97/76/68/352977668.db2.gz DCBCBTCJAIOCBE-LLVKDONJSA-N 2 1 196.338 1.908 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)C(C)(C)C 643505211 352977687 /nfs/dbraw/zinc/97/76/87/352977687.db2.gz IZKITJOOTRHWBA-VIFPVBQESA-N 2 1 172.316 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)CCCOC 643505208 352977719 /nfs/dbraw/zinc/97/77/19/352977719.db2.gz IKODXRLRQUJAMQ-JTQLQIEISA-N 2 1 188.315 1.001 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)C1CC1 643505270 352977740 /nfs/dbraw/zinc/97/77/40/352977740.db2.gz YEQXNUCPZBZGDB-SNVBAGLBSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC[C@@H]1CC 643505195 352977784 /nfs/dbraw/zinc/97/77/84/352977784.db2.gz AXKVZZXNUBNLBX-QWRGUYRKSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](CC)C1CC1 643505269 352977841 /nfs/dbraw/zinc/97/78/41/352977841.db2.gz YEQXNUCPZBZGDB-JTQLQIEISA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1CC 643505196 352977882 /nfs/dbraw/zinc/97/78/82/352977882.db2.gz AXKVZZXNUBNLBX-WDEREUQCSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](CC)C1CCC1 643505435 352977891 /nfs/dbraw/zinc/97/78/91/352977891.db2.gz IALKSIMCVDNXFC-NSHDSACASA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)CCCOC 643505209 352977899 /nfs/dbraw/zinc/97/78/99/352977899.db2.gz IKODXRLRQUJAMQ-SNVBAGLBSA-N 2 1 188.315 1.001 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)C(C)C 643505366 352977908 /nfs/dbraw/zinc/97/79/08/352977908.db2.gz QFSMYLAGGLFCQP-SNVBAGLBSA-N 2 1 172.316 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCCC12CCC2 643505498 352977955 /nfs/dbraw/zinc/97/79/55/352977955.db2.gz VAHXOBFLHIQKHO-LLVKDONJSA-N 2 1 196.338 1.908 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](CC)C(C)C 643505365 352977993 /nfs/dbraw/zinc/97/79/93/352977993.db2.gz QFSMYLAGGLFCQP-JTQLQIEISA-N 2 1 172.316 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)C1CCCC1 643505377 352978029 /nfs/dbraw/zinc/97/80/29/352978029.db2.gz SOONBWWIJXAIDD-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC12CCC2 643505432 352978063 /nfs/dbraw/zinc/97/80/63/352978063.db2.gz GEKIVIFHSUAMMI-SNVBAGLBSA-N 2 1 182.311 1.518 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C(C)C)C1CC1 643505204 352978078 /nfs/dbraw/zinc/97/80/78/352978078.db2.gz DPOZJJOPTQDZQK-LLVKDONJSA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCCC12CCC2 643505499 352978127 /nfs/dbraw/zinc/97/81/27/352978127.db2.gz VAHXOBFLHIQKHO-NSHDSACASA-N 2 1 196.338 1.908 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC12CCCC2 643505430 352978207 /nfs/dbraw/zinc/97/82/07/352978207.db2.gz DCBCBTCJAIOCBE-NSHDSACASA-N 2 1 196.338 1.908 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C(C)C)C1CC1 643505205 352978232 /nfs/dbraw/zinc/97/82/32/352978232.db2.gz DPOZJJOPTQDZQK-NSHDSACASA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)C1CCCC1 643505376 352978284 /nfs/dbraw/zinc/97/82/84/352978284.db2.gz SOONBWWIJXAIDD-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CC[NH2+]CC[NH2+]C1CCC2(CC1)CC2 643505497 352978304 /nfs/dbraw/zinc/97/83/04/352978304.db2.gz UTTILVSLIOSKJQ-UHFFFAOYSA-N 2 1 196.338 1.908 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H]1CC 643505518 352978579 /nfs/dbraw/zinc/97/85/79/352978579.db2.gz XQYCOSXDCIOXHL-ZJUUUORDSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)[C@H]1C[C@H]1C 643505660 352978587 /nfs/dbraw/zinc/97/85/87/352978587.db2.gz PMZWWXSDMVAUTO-OUAUKWLOSA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)[C@@H]1C[C@H]1C 643505658 352978608 /nfs/dbraw/zinc/97/86/08/352978608.db2.gz PMZWWXSDMVAUTO-GMTAPVOTSA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1CC 643505517 352978645 /nfs/dbraw/zinc/97/86/45/352978645.db2.gz XQYCOSXDCIOXHL-VHSXEESVSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]1C1CCC1 643505540 352978680 /nfs/dbraw/zinc/97/86/80/352978680.db2.gz ZEMUPORLZKFFDH-NWDGAFQWSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H]1C1CCC1 643505539 352978701 /nfs/dbraw/zinc/97/87/01/352978701.db2.gz ZEMUPORLZKFFDH-NEPJUHHUSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@@H]1CC 643505516 352978810 /nfs/dbraw/zinc/97/88/10/352978810.db2.gz XQYCOSXDCIOXHL-UWVGGRQHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C1CCC1)C1CC1 643505712 352978880 /nfs/dbraw/zinc/97/88/80/352978880.db2.gz WQQBGDOICIZNBF-GFCCVEGCSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)[C@H]1C[C@@H]1C 643505657 352978907 /nfs/dbraw/zinc/97/89/07/352978907.db2.gz PMZWWXSDMVAUTO-GARJFASQSA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 643505542 352978975 /nfs/dbraw/zinc/97/89/75/352978975.db2.gz ZEMUPORLZKFFDH-VXGBXAGGSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C 643505659 352979036 /nfs/dbraw/zinc/97/90/36/352979036.db2.gz PMZWWXSDMVAUTO-HBNTYKKESA-N 2 1 184.327 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CC[C@H]1C1CCC1 643505541 352979051 /nfs/dbraw/zinc/97/90/51/352979051.db2.gz ZEMUPORLZKFFDH-RYUDHWBXSA-N 2 1 196.338 1.764 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CC[C@H]1CC 643505515 352979127 /nfs/dbraw/zinc/97/91/27/352979127.db2.gz XQYCOSXDCIOXHL-NXEZZACHSA-N 2 1 170.300 1.374 20 0 ADADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 643505917 352979155 /nfs/dbraw/zinc/97/91/55/352979155.db2.gz DPOYAZIKMRKRJX-JTQLQIEISA-N 2 1 196.338 1.907 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C1CCC1)C1CC1 643505713 352979167 /nfs/dbraw/zinc/97/91/67/352979167.db2.gz WQQBGDOICIZNBF-LBPRGKRZSA-N 2 1 196.338 1.764 20 0 ADADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCCC1 643505918 352979343 /nfs/dbraw/zinc/97/93/43/352979343.db2.gz DPOYAZIKMRKRJX-SNVBAGLBSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 643506953 352979584 /nfs/dbraw/zinc/97/95/84/352979584.db2.gz NSGDSDJKFJTSHO-NSHDSACASA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C(C)(C)C 643506822 352979630 /nfs/dbraw/zinc/97/96/30/352979630.db2.gz JNOAHWFVDDKBMO-SECBINFHSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CCC1 643507680 352979649 /nfs/dbraw/zinc/97/96/49/352979649.db2.gz MMSPCYLEWPKBDB-GFCCVEGCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](CC1CC1)[NH2+]CC[NH2+]C1CC1 643506224 352979669 /nfs/dbraw/zinc/97/96/69/352979669.db2.gz PBIFVDADOOXDML-VIFPVBQESA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)C1CCC1 643507681 352979714 /nfs/dbraw/zinc/97/97/14/352979714.db2.gz MMSPCYLEWPKBDB-LBPRGKRZSA-N 2 1 196.338 1.907 20 0 ADADMP CCC[C@H](CC)[NH2+]CC[NH2+]C1CC1 643507038 352979720 /nfs/dbraw/zinc/97/97/20/352979720.db2.gz QQIQETQKMKQIMR-JTQLQIEISA-N 2 1 184.327 1.907 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 643507749 352979750 /nfs/dbraw/zinc/97/97/50/352979750.db2.gz OGBZSEWWVDDSNW-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 643507750 352979761 /nfs/dbraw/zinc/97/97/61/352979761.db2.gz OGBZSEWWVDDSNW-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 643506585 352979787 /nfs/dbraw/zinc/97/97/87/352979787.db2.gz CCVYUPLRPOZRGV-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+]CC[NH2+]C1CC1 643507747 352979848 /nfs/dbraw/zinc/97/98/48/352979848.db2.gz OGBZSEWWVDDSNW-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+]CC[NH2+]C1CC1 643507044 352979894 /nfs/dbraw/zinc/97/98/94/352979894.db2.gz QUIQJYKLMPNNIO-JTQLQIEISA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH2+]C1CC1 643507748 352979927 /nfs/dbraw/zinc/97/99/27/352979927.db2.gz OGBZSEWWVDDSNW-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CCC[C@H]1[NH2+]CC[NH2+]C1CC1 643506195 352979937 /nfs/dbraw/zinc/97/99/37/352979937.db2.gz NWEKQWFAABWIPY-LLVKDONJSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 643506580 352979945 /nfs/dbraw/zinc/97/99/45/352979945.db2.gz BXXXUNGNMUOUEC-LBPRGKRZSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643506586 352979953 /nfs/dbraw/zinc/97/99/53/352979953.db2.gz CCVYUPLRPOZRGV-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)C(C)C 643506388 352979995 /nfs/dbraw/zinc/97/99/95/352979995.db2.gz URLONYHAWVGZMS-LLVKDONJSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@H](CC1CCC1)[NH2+]CC[NH2+]C1CC1 643507045 352980036 /nfs/dbraw/zinc/98/00/36/352980036.db2.gz QUIQJYKLMPNNIO-SNVBAGLBSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643506265 352980072 /nfs/dbraw/zinc/98/00/72/352980072.db2.gz QCLRHEYHMCHNIS-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 643506952 352980202 /nfs/dbraw/zinc/98/02/02/352980202.db2.gz NSGDSDJKFJTSHO-LLVKDONJSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643506587 352980208 /nfs/dbraw/zinc/98/02/08/352980208.db2.gz CCVYUPLRPOZRGV-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](CC1CC1)[NH2+]CC[NH2+]C1CC1 643506223 352980237 /nfs/dbraw/zinc/98/02/37/352980237.db2.gz PBIFVDADOOXDML-SECBINFHSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 643506588 352980249 /nfs/dbraw/zinc/98/02/49/352980249.db2.gz CCVYUPLRPOZRGV-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C1CC2(C1)CC[C@H]2[NH2+]CC[NH2+]C1CC1 643507701 352980259 /nfs/dbraw/zinc/98/02/59/352980259.db2.gz NCKKBDLPDGJSJP-LLVKDONJSA-N 2 1 194.322 1.661 20 0 ADADMP CC1(C)CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643506196 352980266 /nfs/dbraw/zinc/98/02/66/352980266.db2.gz NWEKQWFAABWIPY-NSHDSACASA-N 2 1 196.338 1.907 20 0 ADADMP C1CC2(C1)CC[C@@H]2[NH2+]CC[NH2+]C1CC1 643507702 352980302 /nfs/dbraw/zinc/98/03/02/352980302.db2.gz NCKKBDLPDGJSJP-NSHDSACASA-N 2 1 194.322 1.661 20 0 ADADMP C[C@@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 643506266 352980310 /nfs/dbraw/zinc/98/03/10/352980310.db2.gz QCLRHEYHMCHNIS-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C(C)(C)C 643506823 352980317 /nfs/dbraw/zinc/98/03/17/352980317.db2.gz JNOAHWFVDDKBMO-VIFPVBQESA-N 2 1 184.327 1.763 20 0 ADADMP C[C@H]1CCC[C@H]1[NH2+]CC[NH2+]C1CC1 643506264 352980323 /nfs/dbraw/zinc/98/03/23/352980323.db2.gz QCLRHEYHMCHNIS-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)C(C)C 643506389 352980356 /nfs/dbraw/zinc/98/03/56/352980356.db2.gz URLONYHAWVGZMS-NSHDSACASA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 643506579 352980365 /nfs/dbraw/zinc/98/03/65/352980365.db2.gz BXXXUNGNMUOUEC-GFCCVEGCSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H]1CCC[C@@H]1[NH2+]CC[NH2+]C1CC1 643506267 352980376 /nfs/dbraw/zinc/98/03/76/352980376.db2.gz QCLRHEYHMCHNIS-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP CCC[C@@H](CC)[NH2+]CC[NH2+]C1CC1 643507039 352980393 /nfs/dbraw/zinc/98/03/93/352980393.db2.gz QQIQETQKMKQIMR-SNVBAGLBSA-N 2 1 184.327 1.907 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1C[C@@H]1C 643508226 352980621 /nfs/dbraw/zinc/98/06/21/352980621.db2.gz VEMIZTZFLCKQQN-DLOVCJGASA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1C[C@H]1C 643508227 352980627 /nfs/dbraw/zinc/98/06/27/352980627.db2.gz VEMIZTZFLCKQQN-JLLWLGSASA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@H]1C[C@H]1C 643508228 352980750 /nfs/dbraw/zinc/98/07/50/352980750.db2.gz VEMIZTZFLCKQQN-USWWRNFRSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H]1C[C@@H]1C 643508229 352981198 /nfs/dbraw/zinc/98/11/98/352981198.db2.gz VEMIZTZFLCKQQN-WCQGTBRESA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C1CC1 643510950 352982396 /nfs/dbraw/zinc/98/23/96/352982396.db2.gz WJGCJXBHUFJHFZ-GXSJLCMTSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C1CC1 643510952 352982437 /nfs/dbraw/zinc/98/24/37/352982437.db2.gz WJGCJXBHUFJHFZ-MWLCHTKSSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C1CC1 643510951 352982532 /nfs/dbraw/zinc/98/25/32/352982532.db2.gz WJGCJXBHUFJHFZ-KOLCDFICSA-N 2 1 184.327 1.748 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C1CC1 643510953 352982590 /nfs/dbraw/zinc/98/25/90/352982590.db2.gz WJGCJXBHUFJHFZ-ONGXEEELSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CC1 643512434 352983313 /nfs/dbraw/zinc/98/33/13/352983313.db2.gz WSRBPHGKGVLGDU-GMSGAONNSA-N 2 1 168.284 1.112 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 643512998 352983337 /nfs/dbraw/zinc/98/33/37/352983337.db2.gz WQTOQWUNXDCYQT-ZJUUUORDSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CC1 643512439 352983366 /nfs/dbraw/zinc/98/33/66/352983366.db2.gz WSRBPHGKGVLGDU-XVKPBYJWSA-N 2 1 168.284 1.112 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512342 352983376 /nfs/dbraw/zinc/98/33/76/352983376.db2.gz LIJLNLRBLHXXTO-USWWRNFRSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCC1 643512759 352983399 /nfs/dbraw/zinc/98/33/99/352983399.db2.gz XEZWOIDFCUNYMJ-JOYOIKCWSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CC1 643512437 352983439 /nfs/dbraw/zinc/98/34/39/352983439.db2.gz WSRBPHGKGVLGDU-OIBJUYFYSA-N 2 1 168.284 1.112 20 0 ADADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@@H]1C[C@@H]1C 643512871 352983475 /nfs/dbraw/zinc/98/34/75/352983475.db2.gz FVODLNNLOFBJDJ-ZDDJMSTPSA-N 2 1 196.338 1.748 20 0 ADADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@@H]1C[C@H]1C 643512868 352983494 /nfs/dbraw/zinc/98/34/94/352983494.db2.gz FVODLNNLOFBJDJ-KXGXSXBTSA-N 2 1 196.338 1.748 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512996 352983551 /nfs/dbraw/zinc/98/35/51/352983551.db2.gz WQTOQWUNXDCYQT-UWVGGRQHSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCC1 643512760 352983558 /nfs/dbraw/zinc/98/35/58/352983558.db2.gz XEZWOIDFCUNYMJ-SKDRFNHKSA-N 2 1 196.338 1.892 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 643512995 352983631 /nfs/dbraw/zinc/98/36/31/352983631.db2.gz WQTOQWUNXDCYQT-NXEZZACHSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512840 352983647 /nfs/dbraw/zinc/98/36/47/352983647.db2.gz DEYFLGACWNUPLW-IEBDPFPHSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)C1CC1 643512585 352983696 /nfs/dbraw/zinc/98/36/96/352983696.db2.gz CNOPTYZZVAVUPE-WDEREUQCSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@H]1C[C@@H]1C 643512870 352983708 /nfs/dbraw/zinc/98/37/08/352983708.db2.gz FVODLNNLOFBJDJ-PDEGPIFNSA-N 2 1 196.338 1.748 20 0 ADADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCC12CCC2)C1CC1 643512896 352983732 /nfs/dbraw/zinc/98/37/32/352983732.db2.gz HGXZIEQVRNZEIJ-GHMZBOCLSA-N 2 1 194.322 1.646 20 0 ADADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CC1 643512584 352983720 /nfs/dbraw/zinc/98/37/20/352983720.db2.gz CNOPTYZZVAVUPE-QWRGUYRKSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 643512343 352983726 /nfs/dbraw/zinc/98/37/26/352983726.db2.gz LIJLNLRBLHXXTO-YUSALJHKSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 643512838 352983748 /nfs/dbraw/zinc/98/37/48/352983748.db2.gz DEYFLGACWNUPLW-DVVUODLYSA-N 2 1 182.311 1.502 20 0 ADADMP [NH3+]C[C@@H]([NH2+][C@H]1CCC12CCC2)C1CC1 643512897 352983765 /nfs/dbraw/zinc/98/37/65/352983765.db2.gz HGXZIEQVRNZEIJ-MNOVXSKESA-N 2 1 194.322 1.646 20 0 ADADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)[C@H]1C[C@H]1C 643512869 352983771 /nfs/dbraw/zinc/98/37/71/352983771.db2.gz FVODLNNLOFBJDJ-NUGNTBJXSA-N 2 1 196.338 1.748 20 0 ADADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CCCC1 643512756 352983781 /nfs/dbraw/zinc/98/37/81/352983781.db2.gz XEZWOIDFCUNYMJ-BXKDBHETSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512841 352983805 /nfs/dbraw/zinc/98/38/05/352983805.db2.gz DEYFLGACWNUPLW-MIMYLULJSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C[NH3+])C1CC1 643512839 352983825 /nfs/dbraw/zinc/98/38/25/352983825.db2.gz DEYFLGACWNUPLW-FBIMIBRVSA-N 2 1 182.311 1.502 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@@H]1CCC12CCC2)C1CC1 643512899 352983837 /nfs/dbraw/zinc/98/38/37/352983837.db2.gz HGXZIEQVRNZEIJ-WDEREUQCSA-N 2 1 194.322 1.646 20 0 ADADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CCCC1 643512758 352983843 /nfs/dbraw/zinc/98/38/43/352983843.db2.gz XEZWOIDFCUNYMJ-CABZTGNLSA-N 2 1 196.338 1.892 20 0 ADADMP CC1(C)CC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512997 352983877 /nfs/dbraw/zinc/98/38/77/352983877.db2.gz WQTOQWUNXDCYQT-VHSXEESVSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C[NH3+])C1CC1 643512341 352983900 /nfs/dbraw/zinc/98/39/00/352983900.db2.gz LIJLNLRBLHXXTO-JLLWLGSASA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)C1CC1 643512582 352983915 /nfs/dbraw/zinc/98/39/15/352983915.db2.gz CNOPTYZZVAVUPE-GHMZBOCLSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)C1CC1 643512438 352983919 /nfs/dbraw/zinc/98/39/19/352983919.db2.gz WSRBPHGKGVLGDU-XCBNKYQSSA-N 2 1 168.284 1.112 20 0 ADADMP [NH3+]C[C@H]([NH2+][C@H]1CCC12CCC2)C1CC1 643512898 352983924 /nfs/dbraw/zinc/98/39/24/352983924.db2.gz HGXZIEQVRNZEIJ-QWRGUYRKSA-N 2 1 194.322 1.646 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C[NH3+])C1CC1 643512340 352983933 /nfs/dbraw/zinc/98/39/33/352983933.db2.gz LIJLNLRBLHXXTO-ADEWGFFLSA-N 2 1 196.338 1.892 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)C1CC1 643514271 352984217 /nfs/dbraw/zinc/98/42/17/352984217.db2.gz BPYGZBQMGPFKKA-GXSJLCMTSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)C1CC1 643514273 352984456 /nfs/dbraw/zinc/98/44/56/352984456.db2.gz BPYGZBQMGPFKKA-MWLCHTKSSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)C1CC1 643514272 352984611 /nfs/dbraw/zinc/98/46/11/352984611.db2.gz BPYGZBQMGPFKKA-KOLCDFICSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)C1CC1 643514274 352984912 /nfs/dbraw/zinc/98/49/12/352984912.db2.gz BPYGZBQMGPFKKA-ONGXEEELSA-N 2 1 184.327 1.892 20 0 ADADMP CCC[NH2+]CC[NH2+][C@H]1CCC12CCC2 643515125 352986217 /nfs/dbraw/zinc/98/62/17/352986217.db2.gz GEGVJYCQEPRIBO-NSHDSACASA-N 2 1 196.338 1.908 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515468 352986301 /nfs/dbraw/zinc/98/63/01/352986301.db2.gz XQHCZPXDEBGAIH-MXWKQRLJSA-N 2 1 184.327 1.763 20 0 ADADMP CCC[NH2+]CC[NH2+][C@@H]1CCC12CCC2 643515124 352986340 /nfs/dbraw/zinc/98/63/40/352986340.db2.gz GEGVJYCQEPRIBO-LLVKDONJSA-N 2 1 196.338 1.908 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 643515469 352986841 /nfs/dbraw/zinc/98/68/41/352986841.db2.gz XQHCZPXDEBGAIH-VWYCJHECSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1C[C@@H]1C 643515720 352987353 /nfs/dbraw/zinc/98/73/53/352987353.db2.gz WTIZDLWKXMIRFJ-YFKTTZPYSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1C[C@H]1C 643515718 352987371 /nfs/dbraw/zinc/98/73/71/352987371.db2.gz WTIZDLWKXMIRFJ-KXNHARMFSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccsc1 643516010 352987492 /nfs/dbraw/zinc/98/74/92/352987492.db2.gz LXZSNVXMLKCWQS-QMMMGPOBSA-N 2 1 196.319 1.618 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 643515675 352987505 /nfs/dbraw/zinc/98/75/05/352987505.db2.gz LIKSRDFOWDAUAR-DCAQKATOSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 643515843 352987540 /nfs/dbraw/zinc/98/75/40/352987540.db2.gz UKYDNHAELMHTAG-SRVKXCTJSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 643515842 352987692 /nfs/dbraw/zinc/98/76/92/352987692.db2.gz UKYDNHAELMHTAG-SDDRHHMPSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccsc1 643516009 352987698 /nfs/dbraw/zinc/98/76/98/352987698.db2.gz LXZSNVXMLKCWQS-MRVPVSSYSA-N 2 1 196.319 1.618 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 643515676 352987738 /nfs/dbraw/zinc/98/77/38/352987738.db2.gz LIKSRDFOWDAUAR-GARJFASQSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1C[C@H]1C 643515719 352987795 /nfs/dbraw/zinc/98/77/95/352987795.db2.gz WTIZDLWKXMIRFJ-RHYQMDGZSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H]1C[C@@H]1C 643515717 352987867 /nfs/dbraw/zinc/98/78/67/352987867.db2.gz WTIZDLWKXMIRFJ-BJDJZHNGSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H](C1CCCC1)C1CC1 643519636 352989976 /nfs/dbraw/zinc/98/99/76/352989976.db2.gz FTVSFCIPIPGOJF-SKDRFNHKSA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[NH3+] 643519167 352990127 /nfs/dbraw/zinc/99/01/27/352990127.db2.gz AWQHKKKGSUCVHD-HLTSFMKQSA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 643519168 352990195 /nfs/dbraw/zinc/99/01/95/352990195.db2.gz AWQHKKKGSUCVHD-IWSPIJDZSA-N 2 1 158.289 1.358 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C1CCCC1)C1CC1 643519635 352990279 /nfs/dbraw/zinc/99/02/79/352990279.db2.gz FTVSFCIPIPGOJF-BXKDBHETSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@H]1C1CCC1 643519684 352990539 /nfs/dbraw/zinc/99/05/39/352990539.db2.gz KYOFZNNRZOKQRW-DVVUODLYSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H]([NH2+][C@H](C)C[NH3+])C1C(C)(C)C1(C)C 643519808 352990585 /nfs/dbraw/zinc/99/05/85/352990585.db2.gz GZUIBQBBNGHQPU-BDAKNGLRSA-N 2 1 198.354 1.994 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])[C@@H]1C[C@@H]1C 643519666 352990642 /nfs/dbraw/zinc/99/06/42/352990642.db2.gz IUESLDOPOVXQPX-JLIMGVALSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC(C)(C)C[C@H]1C 643519776 352990650 /nfs/dbraw/zinc/99/06/50/352990650.db2.gz ZWVFJRSFAOCJBA-BBBLOLIVSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@H](C)C[NH3+] 643519710 352990678 /nfs/dbraw/zinc/99/06/78/352990678.db2.gz OVPJFCKPWJYYNO-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccncc1 643519716 352990691 /nfs/dbraw/zinc/99/06/91/352990691.db2.gz SBUBVNMUPNZHGR-MWLCHTKSSA-N 2 1 193.294 1.470 20 0 ADADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+][C@H](C)C[NH3+])C1 643519707 352990703 /nfs/dbraw/zinc/99/07/03/352990703.db2.gz OVPJFCKPWJYYNO-DBIOUOCHSA-N 2 1 184.327 1.748 20 0 ADADMP CCC(C)(C)[C@H](C)[NH2+][C@H](C)C[NH3+] 643519682 352990775 /nfs/dbraw/zinc/99/07/75/352990775.db2.gz KOWRPBNZUKFZCJ-BDAKNGLRSA-N 2 1 172.316 1.748 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@H]1C1CCC1 643519687 352990782 /nfs/dbraw/zinc/99/07/82/352990782.db2.gz KYOFZNNRZOKQRW-MIMYLULJSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccncc1 643519715 352990795 /nfs/dbraw/zinc/99/07/95/352990795.db2.gz SBUBVNMUPNZHGR-KOLCDFICSA-N 2 1 193.294 1.470 20 0 ADADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+][C@H](C)C[NH3+])C1 643519708 352990831 /nfs/dbraw/zinc/99/08/31/352990831.db2.gz OVPJFCKPWJYYNO-GWOFURMSSA-N 2 1 184.327 1.748 20 0 ADADMP CCC(C)(C)[C@@H](C)[NH2+][C@H](C)C[NH3+] 643519683 352990856 /nfs/dbraw/zinc/99/08/56/352990856.db2.gz KOWRPBNZUKFZCJ-RKDXNWHRSA-N 2 1 172.316 1.748 20 0 ADADMP C[C@H]1CC[C@@H](C)C[C@H]1[NH2+][C@H](C)C[NH3+] 643519709 352990966 /nfs/dbraw/zinc/99/09/66/352990966.db2.gz OVPJFCKPWJYYNO-LMLFDSFASA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH3+] 643519727 352990974 /nfs/dbraw/zinc/99/09/74/352990974.db2.gz UZVJZTHARIHIEU-IWSPIJDZSA-N 2 1 156.273 1.112 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 643519858 352990980 /nfs/dbraw/zinc/99/09/80/352990980.db2.gz ZOEXQZSCWCHPJB-UTLUCORTSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC(C)(C)C[C@H]1C 643519778 352990986 /nfs/dbraw/zinc/99/09/86/352990986.db2.gz ZWVFJRSFAOCJBA-OPRDCNLKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])[C@@H]1C[C@H]1C 643519668 352991017 /nfs/dbraw/zinc/99/10/17/352991017.db2.gz IUESLDOPOVXQPX-KYXWUPHJSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1[C@H](C)CCC[C@H]1C 643519800 352991100 /nfs/dbraw/zinc/99/11/00/352991100.db2.gz DBTKZGXNJCSMII-OPRDCNLKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@H](C)C[NH3+] 643519726 352991079 /nfs/dbraw/zinc/99/10/79/352991079.db2.gz UZVJZTHARIHIEU-HRDYMLBCSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+][C@H](C)C[NH3+] 643519775 352991090 /nfs/dbraw/zinc/99/10/90/352991090.db2.gz ZWVFJRSFAOCJBA-AEJSXWLSSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH3+] 643519725 352991127 /nfs/dbraw/zinc/99/11/27/352991127.db2.gz UZVJZTHARIHIEU-HLTSFMKQSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+][C@H](C)C[NH3+] 643519777 352991160 /nfs/dbraw/zinc/99/11/60/352991160.db2.gz ZWVFJRSFAOCJBA-IVZWLZJFSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@H](C)C[NH3+] 643519728 352991171 /nfs/dbraw/zinc/99/11/71/352991171.db2.gz UZVJZTHARIHIEU-VGMNWLOBSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CCC[C@@H](C)[C@@H]1[NH2+][C@H](C)C[NH3+] 643519801 352991202 /nfs/dbraw/zinc/99/12/02/352991202.db2.gz DBTKZGXNJCSMII-YTWAJWBKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 643519857 352991210 /nfs/dbraw/zinc/99/12/10/352991210.db2.gz ZOEXQZSCWCHPJB-KXUCPTDWSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])[C@H]1C[C@@H]1C 643519667 352991239 /nfs/dbraw/zinc/99/12/39/352991239.db2.gz IUESLDOPOVXQPX-JXUBOQSCSA-N 2 1 170.300 1.358 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H]1CC[C@@H]1C1CCC1 643519686 352991244 /nfs/dbraw/zinc/99/12/44/352991244.db2.gz KYOFZNNRZOKQRW-IEBDPFPHSA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H]1CC[C@@H]1C1CCC1 643519685 352991249 /nfs/dbraw/zinc/99/12/49/352991249.db2.gz KYOFZNNRZOKQRW-FBIMIBRVSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])[C@H]1C[C@H]1C 643519665 352991274 /nfs/dbraw/zinc/99/12/74/352991274.db2.gz IUESLDOPOVXQPX-IMSYWVGJSA-N 2 1 170.300 1.358 20 0 ADADMP CC[C@H]1CCCC[C@@H]1[NH2+][C@H](C)C[NH3+] 643519790 352991291 /nfs/dbraw/zinc/99/12/91/352991291.db2.gz CRPNXXCAQASFGR-VWYCJHECSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@H]1CCC[C@H](C)C1[NH2+][C@H](C)C[NH3+] 643519799 352991296 /nfs/dbraw/zinc/99/12/96/352991296.db2.gz DBTKZGXNJCSMII-LPEHRKFASA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 643523524 352991764 /nfs/dbraw/zinc/99/17/64/352991764.db2.gz LIKSRDFOWDAUAR-HBNTYKKESA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 643523538 352991785 /nfs/dbraw/zinc/99/17/85/352991785.db2.gz UKYDNHAELMHTAG-TUAOUCFPSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 643523523 352991826 /nfs/dbraw/zinc/99/18/26/352991826.db2.gz LIKSRDFOWDAUAR-AXFHLTTASA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 643523537 352992022 /nfs/dbraw/zinc/99/20/22/352992022.db2.gz UKYDNHAELMHTAG-QJPTWQEYSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 643526021 352992410 /nfs/dbraw/zinc/99/24/10/352992410.db2.gz NEWFRYPXLPNSDS-SKDRFNHKSA-N 2 1 190.290 1.611 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1 643525722 352992492 /nfs/dbraw/zinc/99/24/92/352992492.db2.gz CRJGWXLXJZPNSQ-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(F)c1 643525715 352992508 /nfs/dbraw/zinc/99/25/08/352992508.db2.gz CRENODIGBBHVAQ-BDAKNGLRSA-N 2 1 196.269 1.824 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccs1 643525702 352992526 /nfs/dbraw/zinc/99/25/26/352992526.db2.gz BKPXPPQEZOULAA-YUMQZZPRSA-N 2 1 184.308 1.746 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1 643525999 352992547 /nfs/dbraw/zinc/99/25/47/352992547.db2.gz LVLXSTGMTPYBQQ-IUCAKERBSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] 643526110 352992605 /nfs/dbraw/zinc/99/26/05/352992605.db2.gz PNKYQMZMTLLYLJ-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 643525716 352992617 /nfs/dbraw/zinc/99/26/17/352992617.db2.gz CRENODIGBBHVAQ-DTWKUNHWSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 643525719 352992658 /nfs/dbraw/zinc/99/26/58/352992658.db2.gz CRJGWXLXJZPNSQ-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 643525998 352992706 /nfs/dbraw/zinc/99/27/06/352992706.db2.gz LVLXSTGMTPYBQQ-DTWKUNHWSA-N 2 1 196.269 1.824 20 0 ADADMP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccs1 643525701 352992743 /nfs/dbraw/zinc/99/27/43/352992743.db2.gz BKPXPPQEZOULAA-SFYZADRCSA-N 2 1 184.308 1.746 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccs1 643525699 352992767 /nfs/dbraw/zinc/99/27/67/352992767.db2.gz BKPXPPQEZOULAA-HTQZYQBOSA-N 2 1 184.308 1.746 20 0 ADADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] 643526112 352992809 /nfs/dbraw/zinc/99/28/09/352992809.db2.gz PNKYQMZMTLLYLJ-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 643526018 352992885 /nfs/dbraw/zinc/99/28/85/352992885.db2.gz NEWFRYPXLPNSDS-BXKDBHETSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1 643525718 352992913 /nfs/dbraw/zinc/99/29/13/352992913.db2.gz CRENODIGBBHVAQ-RKDXNWHRSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1 643525721 352992940 /nfs/dbraw/zinc/99/29/40/352992940.db2.gz CRJGWXLXJZPNSQ-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@@H]1CCc2ccccc21 643526020 352993008 /nfs/dbraw/zinc/99/30/08/352993008.db2.gz NEWFRYPXLPNSDS-JOYOIKCWSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@H]1CCc2ccccc21 643526019 352993048 /nfs/dbraw/zinc/99/30/48/352993048.db2.gz NEWFRYPXLPNSDS-CABZTGNLSA-N 2 1 190.290 1.611 20 0 ADADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1 643526000 352993140 /nfs/dbraw/zinc/99/31/40/352993140.db2.gz LVLXSTGMTPYBQQ-RKDXNWHRSA-N 2 1 196.269 1.824 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@H](C)c1cccs1 643525700 352993164 /nfs/dbraw/zinc/99/31/64/352993164.db2.gz BKPXPPQEZOULAA-JGVFFNPUSA-N 2 1 184.308 1.746 20 0 ADADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1 643525717 352993177 /nfs/dbraw/zinc/99/31/77/352993177.db2.gz CRENODIGBBHVAQ-IUCAKERBSA-N 2 1 196.269 1.824 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1 643525720 352993260 /nfs/dbraw/zinc/99/32/60/352993260.db2.gz CRJGWXLXJZPNSQ-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] 643526109 352993309 /nfs/dbraw/zinc/99/33/09/352993309.db2.gz PNKYQMZMTLLYLJ-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] 643526111 352993319 /nfs/dbraw/zinc/99/33/19/352993319.db2.gz PNKYQMZMTLLYLJ-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP C[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1 643525997 352993340 /nfs/dbraw/zinc/99/33/40/352993340.db2.gz LVLXSTGMTPYBQQ-BDAKNGLRSA-N 2 1 196.269 1.824 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C 643525460 352993355 /nfs/dbraw/zinc/99/33/55/352993355.db2.gz UHBCKVZUEMVIQB-KKOKHZNYSA-N 2 1 196.338 1.905 20 0 ADADMP Cc1cccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 643526270 352993661 /nfs/dbraw/zinc/99/36/61/352993661.db2.gz XKIXRQPVKUCATE-MNOVXSKESA-N 2 1 192.306 1.993 20 0 ADADMP Cc1cccc([C@H](C)[NH2+]C[C@H](C)[NH3+])c1 643526271 352993848 /nfs/dbraw/zinc/99/38/48/352993848.db2.gz XKIXRQPVKUCATE-QWRGUYRKSA-N 2 1 192.306 1.993 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])c1 643526269 352994030 /nfs/dbraw/zinc/99/40/30/352994030.db2.gz XKIXRQPVKUCATE-GHMZBOCLSA-N 2 1 192.306 1.993 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 643526272 352994059 /nfs/dbraw/zinc/99/40/59/352994059.db2.gz XKIXRQPVKUCATE-WDEREUQCSA-N 2 1 192.306 1.993 20 0 ADADMP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccncc1 643529580 352996355 /nfs/dbraw/zinc/99/63/55/352996355.db2.gz CWPDKBRKJXMSQE-GXSJLCMTSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccncc1 643529581 352996504 /nfs/dbraw/zinc/99/65/04/352996504.db2.gz CWPDKBRKJXMSQE-KOLCDFICSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccncc1 643529582 352996801 /nfs/dbraw/zinc/99/68/01/352996801.db2.gz CWPDKBRKJXMSQE-MWLCHTKSSA-N 2 1 193.294 1.470 20 0 ADADMP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccncc1 643529583 352996834 /nfs/dbraw/zinc/99/68/34/352996834.db2.gz CWPDKBRKJXMSQE-ONGXEEELSA-N 2 1 193.294 1.470 20 0 ADADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 643543043 353003853 /nfs/dbraw/zinc/00/38/53/353003853.db2.gz HJBLBEYNQYTFOC-SKDRFNHKSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)C1CC1 643543041 353003904 /nfs/dbraw/zinc/00/39/04/353003904.db2.gz HJBLBEYNQYTFOC-CABZTGNLSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 643543042 353004100 /nfs/dbraw/zinc/00/41/00/353004100.db2.gz HJBLBEYNQYTFOC-JOYOIKCWSA-N 2 1 196.338 1.892 20 0 ADADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)C1CC1 643543040 353004115 /nfs/dbraw/zinc/00/41/15/353004115.db2.gz HJBLBEYNQYTFOC-BXKDBHETSA-N 2 1 196.338 1.892 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1C[C@H]2CCC[C@H]2C1 126286456 371661895 /nfs/dbraw/zinc/66/18/95/371661895.db2.gz FOQCZENCJDOJPK-AOOOYVTPSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCCC1 160561920 371668978 /nfs/dbraw/zinc/66/89/78/371668978.db2.gz KCPBNDCNHKHKEU-ONGXEEELSA-N 2 1 182.311 1.659 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCCC1 160561769 371669085 /nfs/dbraw/zinc/66/90/85/371669085.db2.gz KCPBNDCNHKHKEU-KOLCDFICSA-N 2 1 182.311 1.659 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCCC1 160561657 371669400 /nfs/dbraw/zinc/66/94/00/371669400.db2.gz KCPBNDCNHKHKEU-GXSJLCMTSA-N 2 1 182.311 1.659 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCCC1 160561537 371669449 /nfs/dbraw/zinc/66/94/49/371669449.db2.gz KCPBNDCNHKHKEU-MWLCHTKSSA-N 2 1 182.311 1.659 20 0 ADADMP C[C@@H]1CC[N@@H+](CCCF)C[C@@H]1C[NH3+] 167656674 371683995 /nfs/dbraw/zinc/68/39/95/371683995.db2.gz XUOMWGPGFKTCJH-ZJUUUORDSA-N 2 1 188.290 1.263 20 0 ADADMP C[C@H]1CC[N@@H+](CCCF)C[C@@H]1C[NH3+] 167656783 371684031 /nfs/dbraw/zinc/68/40/31/371684031.db2.gz XUOMWGPGFKTCJH-UWVGGRQHSA-N 2 1 188.290 1.263 20 0 ADADMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 238855905 371731296 /nfs/dbraw/zinc/73/12/96/371731296.db2.gz UADZBVXKQFURSB-NXEZZACHSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 238855905 371731302 /nfs/dbraw/zinc/73/13/02/371731302.db2.gz UADZBVXKQFURSB-NXEZZACHSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@@H+]1CCC[C@H]1[C@H]1CCCC[NH2+]1 238855906 371731566 /nfs/dbraw/zinc/73/15/66/371731566.db2.gz UADZBVXKQFURSB-ZJUUUORDSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCC[C@H]1[C@H]1CCCC[NH2+]1 238855906 371731573 /nfs/dbraw/zinc/73/15/73/371731573.db2.gz UADZBVXKQFURSB-ZJUUUORDSA-N 2 1 168.284 1.223 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)[C@H](C)CC 318996657 371784930 /nfs/dbraw/zinc/78/49/30/371784930.db2.gz LVMPFIZDXKKPGB-NXEZZACHSA-N 2 1 172.316 1.620 20 0 ADADMP CC(C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 318983546 371785016 /nfs/dbraw/zinc/78/50/16/371785016.db2.gz JDESFAQJEMAOGR-SCZZXKLOSA-N 2 1 170.300 1.358 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)[C@@H](C)CC 318996658 371785054 /nfs/dbraw/zinc/78/50/54/371785054.db2.gz LVMPFIZDXKKPGB-UWVGGRQHSA-N 2 1 172.316 1.620 20 0 ADADMP CC(C)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 318983547 371785097 /nfs/dbraw/zinc/78/50/97/371785097.db2.gz JDESFAQJEMAOGR-WCBMZHEXSA-N 2 1 170.300 1.358 20 0 ADADMP CC(C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 318983549 371785304 /nfs/dbraw/zinc/78/53/04/371785304.db2.gz JDESFAQJEMAOGR-WPRPVWTQSA-N 2 1 170.300 1.358 20 0 ADADMP CC(C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 318983544 371785374 /nfs/dbraw/zinc/78/53/74/371785374.db2.gz JDESFAQJEMAOGR-PSASIEDQSA-N 2 1 170.300 1.358 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H](C)[C@H](C)CC 318996660 371785503 /nfs/dbraw/zinc/78/55/03/371785503.db2.gz LVMPFIZDXKKPGB-ZJUUUORDSA-N 2 1 172.316 1.620 20 0 ADADMP CC[NH2+]CC[NH2+][C@H](C)[C@@H](C)CC 318996659 371785598 /nfs/dbraw/zinc/78/55/98/371785598.db2.gz LVMPFIZDXKKPGB-VHSXEESVSA-N 2 1 172.316 1.620 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 319230530 371786703 /nfs/dbraw/zinc/78/67/03/371786703.db2.gz UVUFVNHIEXHZNB-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)C(C)C 319165300 371786736 /nfs/dbraw/zinc/78/67/36/371786736.db2.gz MLQRPXJYPWFMBW-WDEREUQCSA-N 2 1 186.343 1.994 20 0 ADADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)C(C)C 319165288 371786880 /nfs/dbraw/zinc/78/68/80/371786880.db2.gz MLQRPXJYPWFMBW-GHMZBOCLSA-N 2 1 186.343 1.994 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 319230534 371786982 /nfs/dbraw/zinc/78/69/82/371786982.db2.gz UVUFVNHIEXHZNB-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)C(C)C 319165297 371787085 /nfs/dbraw/zinc/78/70/85/371787085.db2.gz MLQRPXJYPWFMBW-QWRGUYRKSA-N 2 1 186.343 1.994 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+]CC[NH2+]C1CC1 319230531 371787119 /nfs/dbraw/zinc/78/71/19/371787119.db2.gz UVUFVNHIEXHZNB-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)C(C)C 319165294 371787714 /nfs/dbraw/zinc/78/77/14/371787714.db2.gz MLQRPXJYPWFMBW-MNOVXSKESA-N 2 1 186.343 1.994 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 319230533 371787771 /nfs/dbraw/zinc/78/77/71/371787771.db2.gz UVUFVNHIEXHZNB-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])C1CCC1 322542528 371792362 /nfs/dbraw/zinc/79/23/62/371792362.db2.gz OTLYXRABQPSTAM-SECBINFHSA-N 2 1 156.273 1.113 20 0 ADADMP CCC[C@H]([NH2+]CC[NH3+])C1CCC1 322849911 371792420 /nfs/dbraw/zinc/79/24/20/371792420.db2.gz PCLUKUCINCHTCF-JTQLQIEISA-N 2 1 170.300 1.504 20 0 ADADMP CCC[C@@H]([NH2+]CC[NH3+])C1CCC1 322849912 371792790 /nfs/dbraw/zinc/79/27/90/371792790.db2.gz PCLUKUCINCHTCF-SNVBAGLBSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])C1CCC1 322542532 371792888 /nfs/dbraw/zinc/79/28/88/371792888.db2.gz OTLYXRABQPSTAM-VIFPVBQESA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 323724405 371793948 /nfs/dbraw/zinc/79/39/48/371793948.db2.gz NEJNEQFOIXCUFP-RYUDHWBXSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 324091615 371793974 /nfs/dbraw/zinc/79/39/74/371793974.db2.gz AUBGEZREZGJFNZ-QWRGUYRKSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 323724402 371794091 /nfs/dbraw/zinc/79/40/91/371794091.db2.gz NEJNEQFOIXCUFP-NWDGAFQWSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 324091600 371794205 /nfs/dbraw/zinc/79/42/05/371794205.db2.gz AUBGEZREZGJFNZ-GHMZBOCLSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])C1CC1 324141718 371794467 /nfs/dbraw/zinc/79/44/67/371794467.db2.gz SEFAZUWFDVVTMN-SCZZXKLOSA-N 2 1 170.300 1.358 20 0 ADADMP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])C1CC1 324141717 371794531 /nfs/dbraw/zinc/79/45/31/371794531.db2.gz SEFAZUWFDVVTMN-PSASIEDQSA-N 2 1 170.300 1.358 20 0 ADADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 324091625 371794555 /nfs/dbraw/zinc/79/45/55/371794555.db2.gz AUBGEZREZGJFNZ-WDEREUQCSA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 323724406 371794692 /nfs/dbraw/zinc/79/46/92/371794692.db2.gz NEJNEQFOIXCUFP-VXGBXAGGSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 324091608 371794772 /nfs/dbraw/zinc/79/47/72/371794772.db2.gz AUBGEZREZGJFNZ-MNOVXSKESA-N 2 1 182.311 1.517 20 0 ADADMP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 323724401 371794954 /nfs/dbraw/zinc/79/49/54/371794954.db2.gz NEJNEQFOIXCUFP-NEPJUHHUSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])C1CC1 324512910 371796204 /nfs/dbraw/zinc/79/62/04/371796204.db2.gz UQVJQVRUVVRFEN-APPZFPTMSA-N 2 1 156.273 1.112 20 0 ADADMP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 324345691 371796244 /nfs/dbraw/zinc/79/62/44/371796244.db2.gz FHSZXUDZWDZUNF-NEPJUHHUSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 324345696 371796751 /nfs/dbraw/zinc/79/67/51/371796751.db2.gz FHSZXUDZWDZUNF-VXGBXAGGSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 324345693 371796763 /nfs/dbraw/zinc/79/67/63/371796763.db2.gz FHSZXUDZWDZUNF-NWDGAFQWSA-N 2 1 196.338 1.763 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])C1CC1 324512913 371796875 /nfs/dbraw/zinc/79/68/75/371796875.db2.gz UQVJQVRUVVRFEN-VXNVDRBHSA-N 2 1 156.273 1.112 20 0 ADADMP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 324345695 371796933 /nfs/dbraw/zinc/79/69/33/371796933.db2.gz FHSZXUDZWDZUNF-RYUDHWBXSA-N 2 1 196.338 1.763 20 0 ADADMP CC(C)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 536953530 371818545 /nfs/dbraw/zinc/81/85/45/371818545.db2.gz IHWAOWCBMVNVJP-SDDRHHMPSA-N 2 1 196.338 1.572 20 0 ADADMP CC(C)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536953531 371818564 /nfs/dbraw/zinc/81/85/64/371818564.db2.gz IHWAOWCBMVNVJP-SRVKXCTJSA-N 2 1 196.338 1.572 20 0 ADADMP CC(C)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 536953518 371818641 /nfs/dbraw/zinc/81/86/41/371818641.db2.gz IHWAOWCBMVNVJP-QJPTWQEYSA-N 2 1 196.338 1.572 20 0 ADADMP CC(C)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 536953533 371818974 /nfs/dbraw/zinc/81/89/74/371818974.db2.gz IHWAOWCBMVNVJP-TUAOUCFPSA-N 2 1 196.338 1.572 20 0 ADADMP C[C@H]1C[C@@H](C)C[N@@H+]1CCC[NH3+] 59440765 375305809 /nfs/dbraw/zinc/30/58/09/375305809.db2.gz DNFORMPUDIVIFO-BDAKNGLRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC[NH3+])C1 59440767 375305283 /nfs/dbraw/zinc/30/52/83/375305283.db2.gz DNFORMPUDIVIFO-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[C@H](C)[N@@H+](CCC[NH3+])C1 59440766 375305783 /nfs/dbraw/zinc/30/57/83/375305783.db2.gz DNFORMPUDIVIFO-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP C[C@H]1C[C@@H](C)[N@@H+](CCC[NH3+])C1 59440768 375306386 /nfs/dbraw/zinc/30/63/86/375306386.db2.gz DNFORMPUDIVIFO-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP CCC1(C)CC[NH+](CC[NH3+])CC1 62951260 375313805 /nfs/dbraw/zinc/31/38/05/375313805.db2.gz DLLRGWXHHBGPJJ-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP CC1(C)CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 63067275 375313818 /nfs/dbraw/zinc/31/38/18/375313818.db2.gz GNCRQYMBAQAFOC-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP c1cc(C[NH2+]C2CC[NH2+]CC2)cs1 63152531 375315685 /nfs/dbraw/zinc/31/56/85/375315685.db2.gz UKQIHCOOBPBVSX-UHFFFAOYSA-N 2 1 196.319 1.590 20 0 ADADMP [NH3+][C@@H]1CCC[N@@H+](CCC2CCCC2)C1 70585199 375334390 /nfs/dbraw/zinc/33/43/90/375334390.db2.gz YZUNRCUBDBGULB-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+](CCC2CCCC2)C1 70585198 375335028 /nfs/dbraw/zinc/33/50/28/375335028.db2.gz YZUNRCUBDBGULB-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP CC1(C)CCC[C@@H]([NH2+]CC[NH3+])C1 70628985 375335943 /nfs/dbraw/zinc/33/59/43/375335943.db2.gz ZGRLHGUEWOSPFY-SECBINFHSA-N 2 1 170.300 1.504 20 0 ADADMP CC1(C)CCC[C@H]([NH2+]CC[NH3+])C1 70628984 375336482 /nfs/dbraw/zinc/33/64/82/375336482.db2.gz ZGRLHGUEWOSPFY-VIFPVBQESA-N 2 1 170.300 1.504 20 0 ADADMP CC1(C)CCC([NH2+]CC[NH3+])CC1 70654112 375337397 /nfs/dbraw/zinc/33/73/97/375337397.db2.gz XLOCKRBLXPENAC-UHFFFAOYSA-N 2 1 170.300 1.504 20 0 ADADMP C[C@H]1CCC[N@@H+](CCC[NH3+])CC1 82488887 375362980 /nfs/dbraw/zinc/36/29/80/375362980.db2.gz NHXMYTTZHCDNPQ-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP C[C@@H]1CCC[N@@H+](CCC[NH3+])CC1 82488884 375363366 /nfs/dbraw/zinc/36/33/66/375363366.db2.gz NHXMYTTZHCDNPQ-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 82648676 375367620 /nfs/dbraw/zinc/36/76/20/375367620.db2.gz JEUNDERXBAUDLF-UWVGGRQHSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 82648674 375367675 /nfs/dbraw/zinc/36/76/75/375367675.db2.gz JEUNDERXBAUDLF-VHSXEESVSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC2)C1 82645493 375367761 /nfs/dbraw/zinc/36/77/61/375367761.db2.gz NCRJULIKYVDJTI-MWLCHTKSSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC2)C1 82645495 375367832 /nfs/dbraw/zinc/36/78/32/375367832.db2.gz NCRJULIKYVDJTI-ONGXEEELSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CC2)C1 82645497 375368005 /nfs/dbraw/zinc/36/80/05/375368005.db2.gz NCRJULIKYVDJTI-KOLCDFICSA-N 2 1 182.311 1.456 20 0 ADADMP CC(C)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645415 375368076 /nfs/dbraw/zinc/36/80/76/375368076.db2.gz OCGKQTREPYTBGE-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645465 375368201 /nfs/dbraw/zinc/36/82/01/375368201.db2.gz JNZNQMQUHWOEOO-ZJUUUORDSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 83701641 375379737 /nfs/dbraw/zinc/37/97/37/375379737.db2.gz QSAVTBNAAMJEAY-MNOVXSKESA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CC2)C1 82645491 375368758 /nfs/dbraw/zinc/36/87/58/375368758.db2.gz NCRJULIKYVDJTI-GXSJLCMTSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH2+]CC1 82648675 375368938 /nfs/dbraw/zinc/36/89/38/375368938.db2.gz JEUNDERXBAUDLF-ZJUUUORDSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+](C)C1CC[NH2+]CC1 82648673 375368953 /nfs/dbraw/zinc/36/89/53/375368953.db2.gz JEUNDERXBAUDLF-NXEZZACHSA-N 2 1 182.311 1.326 20 0 ADADMP CC(C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 82645466 375368975 /nfs/dbraw/zinc/36/89/75/375368975.db2.gz JNZNQMQUHWOEOO-NXEZZACHSA-N 2 1 170.300 1.454 20 0 ADADMP CC(C)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 82645414 375368994 /nfs/dbraw/zinc/36/89/94/375368994.db2.gz OCGKQTREPYTBGE-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP C[C@@H]1CC([NH2+]CC[NH3+])C[C@@H](C)C1 82830186 375371645 /nfs/dbraw/zinc/37/16/45/375371645.db2.gz IUAUVCLJWNVHLH-IUCAKERBSA-N 2 1 170.300 1.359 20 0 ADADMP C[C@H]1CC([NH2+]CC[NH3+])C[C@H](C)C1 82830187 375371864 /nfs/dbraw/zinc/37/18/64/375371864.db2.gz IUAUVCLJWNVHLH-RKDXNWHRSA-N 2 1 170.300 1.359 20 0 ADADMP CC1(C)CCC[N@@H+](CCC[NH3+])CC1 83680160 375378128 /nfs/dbraw/zinc/37/81/28/375378128.db2.gz DPNDLJUOYHEJTL-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 83701641 375379730 /nfs/dbraw/zinc/37/97/30/375379730.db2.gz QSAVTBNAAMJEAY-MNOVXSKESA-N 2 1 196.338 1.988 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 83699993 375380109 /nfs/dbraw/zinc/38/01/09/375380109.db2.gz ZTWSYKDOICDLNN-WDEREUQCSA-N 2 1 182.311 1.600 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1CCCCC1 83760185 375380142 /nfs/dbraw/zinc/38/01/42/375380142.db2.gz BKFWZZRDUKASOU-MRVPVSSYSA-N 2 1 156.273 1.256 20 0 ADADMP [NH3+]CCC[N@H+]1CCC[C@H]2CCC[C@H]21 83699988 375380242 /nfs/dbraw/zinc/38/02/42/375380242.db2.gz ZTWSYKDOICDLNN-GHMZBOCLSA-N 2 1 182.311 1.600 20 0 ADADMP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 83701643 375380298 /nfs/dbraw/zinc/38/02/98/375380298.db2.gz QSAVTBNAAMJEAY-QWRGUYRKSA-N 2 1 196.338 1.988 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@@H]21 83701643 375380303 /nfs/dbraw/zinc/38/03/03/375380303.db2.gz QSAVTBNAAMJEAY-QWRGUYRKSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C1CCCCCC1 83758525 375380579 /nfs/dbraw/zinc/38/05/79/375380579.db2.gz ROUARMCVYXPEEH-SECBINFHSA-N 2 1 170.300 1.646 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC2)C1 83837733 375382380 /nfs/dbraw/zinc/38/23/80/375382380.db2.gz SCUSLIFAJYFEJM-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC2)C1 83837737 375382453 /nfs/dbraw/zinc/38/24/53/375382453.db2.gz SCUSLIFAJYFEJM-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC2)C1 83837740 375382557 /nfs/dbraw/zinc/38/25/57/375382557.db2.gz SCUSLIFAJYFEJM-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](CC2CCC2)C1 83838163 375382672 /nfs/dbraw/zinc/38/26/72/375382672.db2.gz ZPZWVWGJDYZXGQ-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC2)C1 83837735 375382942 /nfs/dbraw/zinc/38/29/42/375382942.db2.gz SCUSLIFAJYFEJM-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](CC2CCC2)C1 83838165 375383189 /nfs/dbraw/zinc/38/31/89/375383189.db2.gz ZPZWVWGJDYZXGQ-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP C[NH+]1CCC([NH2+][C@@H]2CC=CCC2)CC1 84066155 375386632 /nfs/dbraw/zinc/38/66/32/375386632.db2.gz QXYUJJDJEFDKAE-LLVKDONJSA-N 2 1 194.322 1.779 20 0 ADADMP CC(C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 217689165 375418842 /nfs/dbraw/zinc/41/88/42/375418842.db2.gz LKCSAZGEXCJBMU-MNOVXSKESA-N 2 1 182.311 1.611 20 0 ADADMP CC(C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 217689250 375418985 /nfs/dbraw/zinc/41/89/85/375418985.db2.gz LKCSAZGEXCJBMU-QWRGUYRKSA-N 2 1 182.311 1.611 20 0 ADADMP CC(C)=CC[NH2+]C1CC[NH+](C)CC1 219358747 375420174 /nfs/dbraw/zinc/42/01/74/375420174.db2.gz ZXWSQYISFKWLBN-UHFFFAOYSA-N 2 1 182.311 1.636 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1CC1CC[NH2+]CC1 238480717 375428390 /nfs/dbraw/zinc/42/83/90/375428390.db2.gz ONBLSFALCGRPJC-PHIMTYICSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@@H]1CC[NH2+]C1 238480825 375428520 /nfs/dbraw/zinc/42/85/20/375428520.db2.gz WGYHAOBGZILZCV-OUAUKWLOSA-N 2 1 182.311 1.469 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CCC2(CCC2)C1 307371823 375469712 /nfs/dbraw/zinc/46/97/12/375469712.db2.gz UKACGCCIEXXVIP-UHFFFAOYSA-N 2 1 182.311 1.600 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 324849600 375478682 /nfs/dbraw/zinc/47/86/82/375478682.db2.gz YFQQVETYVZHYQV-RYUDHWBXSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 324849602 375478790 /nfs/dbraw/zinc/47/87/90/375478790.db2.gz YFQQVETYVZHYQV-VXGBXAGGSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CCC1 324849595 375478813 /nfs/dbraw/zinc/47/88/13/375478813.db2.gz YFQQVETYVZHYQV-NEPJUHHUSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 318953601 375478870 /nfs/dbraw/zinc/47/88/70/375478870.db2.gz BICSLEWCINVZLN-QXEWZRGKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 318953600 375478879 /nfs/dbraw/zinc/47/88/79/375478879.db2.gz BICSLEWCINVZLN-NGZCFLSTSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 318953598 375478990 /nfs/dbraw/zinc/47/89/90/375478990.db2.gz BICSLEWCINVZLN-ATZCPNFKSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CCC1 324849597 375479000 /nfs/dbraw/zinc/47/90/00/375479000.db2.gz YFQQVETYVZHYQV-NWDGAFQWSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 318953599 375479071 /nfs/dbraw/zinc/47/90/71/375479071.db2.gz BICSLEWCINVZLN-IQJOONFLSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])C1CCC1 325073857 375480002 /nfs/dbraw/zinc/48/00/02/375480002.db2.gz WWSNJSRBCWHVJR-PSASIEDQSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])C1CCC1 325073858 375480093 /nfs/dbraw/zinc/48/00/93/375480093.db2.gz WWSNJSRBCWHVJR-SCZZXKLOSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@H](C1CCC1)C1CC1 324988560 375480114 /nfs/dbraw/zinc/48/01/14/375480114.db2.gz VSMMVZQXFWADRD-LDYMZIIASA-N 2 1 182.311 1.502 20 0 ADADMP C[C@H](C[NH3+])[NH2+]C(C1CCC1)C1CCC1 325050521 375480158 /nfs/dbraw/zinc/48/01/58/375480158.db2.gz PHRXSPRTLAAKIN-SECBINFHSA-N 2 1 196.338 1.892 20 0 ADADMP CCC[C@H]([NH2+][C@H](C)C[NH3+])C1CCC1 324859447 375480370 /nfs/dbraw/zinc/48/03/70/375480370.db2.gz ZXDLNTZQDAYRDS-KOLCDFICSA-N 2 1 184.327 1.892 20 0 ADADMP [NH3+]CC[NH2+][C@H](C1CCC1)C1CC1 324935798 375480422 /nfs/dbraw/zinc/48/04/22/375480422.db2.gz OXZCBJOVRUVHMX-SNVBAGLBSA-N 2 1 168.284 1.113 20 0 ADADMP C[C@H](C[NH3+])[NH2+][C@@H](C1CCC1)C1CC1 324988558 375480647 /nfs/dbraw/zinc/48/06/47/375480647.db2.gz VSMMVZQXFWADRD-KCJUWKMLSA-N 2 1 182.311 1.502 20 0 ADADMP [NH3+]CC[NH2+][C@@H](C1CCC1)C1CC1 324935797 375480737 /nfs/dbraw/zinc/48/07/37/375480737.db2.gz OXZCBJOVRUVHMX-JTQLQIEISA-N 2 1 168.284 1.113 20 0 ADADMP CCC[C@@H]([NH2+][C@H](C)C[NH3+])C1CCC1 324859448 375480793 /nfs/dbraw/zinc/48/07/93/375480793.db2.gz ZXDLNTZQDAYRDS-MWLCHTKSSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]1C[N@H+](CCn2ccnc2)C[C@@H]1C 336486033 375493741 /nfs/dbraw/zinc/49/37/41/375493741.db2.gz ARECKHZFDDZXDM-PHIMTYICSA-N 2 1 193.294 1.471 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CCn2ccnc2)C1 336486089 375494006 /nfs/dbraw/zinc/49/40/06/375494006.db2.gz LKLFCZJEBSGAGQ-GHMZBOCLSA-N 2 1 193.294 1.613 20 0 ADADMP CC(C)=CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 400407059 375504612 /nfs/dbraw/zinc/50/46/12/375504612.db2.gz RYXWLQVHWSPJRY-GHMZBOCLSA-N 2 1 182.311 1.683 20 0 ADADMP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 400407061 375504649 /nfs/dbraw/zinc/50/46/49/375504649.db2.gz RYXWLQVHWSPJRY-MNOVXSKESA-N 2 1 182.311 1.683 20 0 ADADMP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 400407064 375504841 /nfs/dbraw/zinc/50/48/41/375504841.db2.gz RYXWLQVHWSPJRY-WDEREUQCSA-N 2 1 182.311 1.683 20 0 ADADMP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 400407062 375505346 /nfs/dbraw/zinc/50/53/46/375505346.db2.gz RYXWLQVHWSPJRY-QWRGUYRKSA-N 2 1 182.311 1.683 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 647551850 375661870 /nfs/dbraw/zinc/66/18/70/375661870.db2.gz RKAAHDZQIATKOE-NNYUYHANSA-N 2 1 194.322 1.517 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@@H](C2CCC2)C1 647552132 375662219 /nfs/dbraw/zinc/66/22/19/375662219.db2.gz HCXYENKQOHEQAU-LLVKDONJSA-N 2 1 196.338 1.846 20 0 ADADMP C1C[NH2+]C[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 647551852 375662356 /nfs/dbraw/zinc/66/23/56/375662356.db2.gz RKAAHDZQIATKOE-YFKTTZPYSA-N 2 1 194.322 1.517 20 0 ADADMP CC(C)([NH3+])C[N@H+]1CC[C@H](C2CCC2)C1 647552133 375662978 /nfs/dbraw/zinc/66/29/78/375662978.db2.gz HCXYENKQOHEQAU-NSHDSACASA-N 2 1 196.338 1.846 20 0 ADADMP C1C[NH2+]C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 647551849 375663038 /nfs/dbraw/zinc/66/30/38/375663038.db2.gz RKAAHDZQIATKOE-IRCOFANPSA-N 2 1 194.322 1.517 20 0 ADADMP C1C[C@H]2C[C@H]2[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 647551851 375663081 /nfs/dbraw/zinc/66/30/81/375663081.db2.gz RKAAHDZQIATKOE-QCNOEVLYSA-N 2 1 194.322 1.517 20 0 ADADMP C[C@](C[NH3+])([NH2+]CCCF)C1CC1 647867930 375670306 /nfs/dbraw/zinc/67/03/06/375670306.db2.gz KUIYYSXRNHAVAI-SECBINFHSA-N 2 1 174.263 1.063 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CCCF)C1CC1 647867931 375670870 /nfs/dbraw/zinc/67/08/70/375670870.db2.gz KUIYYSXRNHAVAI-VIFPVBQESA-N 2 1 174.263 1.063 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCF 647869172 375671845 /nfs/dbraw/zinc/67/18/45/375671845.db2.gz UZCWPAOFQCPLOS-VIFPVBQESA-N 2 1 176.279 1.309 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCF 647869171 375672003 /nfs/dbraw/zinc/67/20/03/375672003.db2.gz UZCWPAOFQCPLOS-SECBINFHSA-N 2 1 176.279 1.309 20 0 ADADMP Cc1[nH+]ccn1CC[N@@H+](C)C(C)(C)C 647908364 375674971 /nfs/dbraw/zinc/67/49/71/375674971.db2.gz ZMQYJDUBCVVXTB-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP Cc1[nH+]ccn1CC[N@H+](C)C(C)(C)C 647908364 375674981 /nfs/dbraw/zinc/67/49/81/375674981.db2.gz ZMQYJDUBCVVXTB-UHFFFAOYSA-N 2 1 195.310 1.922 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2ccncc2)CCC1 647907599 375675697 /nfs/dbraw/zinc/67/56/97/375675697.db2.gz GXWCSABXIGQYFX-UHFFFAOYSA-N 2 1 191.278 1.053 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 647974989 375681781 /nfs/dbraw/zinc/68/17/81/375681781.db2.gz FDYDGJJDJQJJPC-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 647974991 375681860 /nfs/dbraw/zinc/68/18/60/375681860.db2.gz FDYDGJJDJQJJPC-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 647974990 375682254 /nfs/dbraw/zinc/68/22/54/375682254.db2.gz FDYDGJJDJQJJPC-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 647974992 375682267 /nfs/dbraw/zinc/68/22/67/375682267.db2.gz FDYDGJJDJQJJPC-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]CCC[N@H+]1CCCC[C@@H](C)C1 647990909 375683299 /nfs/dbraw/zinc/68/32/99/375683299.db2.gz UIBGNYFBMDFGNR-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP C[C@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 647990842 375683450 /nfs/dbraw/zinc/68/34/50/375683450.db2.gz MKYRLRZAZFRDKF-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 647990843 375683571 /nfs/dbraw/zinc/68/35/71/375683571.db2.gz MKYRLRZAZFRDKF-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 647990841 375683798 /nfs/dbraw/zinc/68/37/98/375683798.db2.gz MKYRLRZAZFRDKF-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1CCCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 647990844 375683967 /nfs/dbraw/zinc/68/39/67/375683967.db2.gz MKYRLRZAZFRDKF-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccccn1 647992157 375683983 /nfs/dbraw/zinc/68/39/83/375683983.db2.gz KLENGKMCNUXOCE-JTQLQIEISA-N 2 1 193.294 1.342 20 0 ADADMP C[NH2+]CCC[NH2+][C@H](C)c1ccccn1 647992158 375684242 /nfs/dbraw/zinc/68/42/42/375684242.db2.gz KLENGKMCNUXOCE-SNVBAGLBSA-N 2 1 193.294 1.342 20 0 ADADMP C[NH2+]CCC[N@H+]1CCCC[C@H](C)C1 647990910 375684312 /nfs/dbraw/zinc/68/43/12/375684312.db2.gz UIBGNYFBMDFGNR-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP C[C@H](C1CC1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 36785619 409319046 /nfs/dbraw/zinc/31/90/46/409319046.db2.gz REDAFIKCWZJBGC-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)CC[N@@H+](C)C1CC[NH2+]CC1 36300883 409319130 /nfs/dbraw/zinc/31/91/30/409319130.db2.gz KDCHJBVDXQEZHZ-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 36787564 409319208 /nfs/dbraw/zinc/31/92/08/409319208.db2.gz UWHBXBAYBHMBQZ-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 36787555 409319369 /nfs/dbraw/zinc/31/93/69/409319369.db2.gz QDNZECNNWAMFRT-LLVKDONJSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 36787556 409319406 /nfs/dbraw/zinc/31/94/06/409319406.db2.gz QDNZECNNWAMFRT-NSHDSACASA-N 2 1 198.354 1.962 20 0 ADADMP C[C@H](C1CC1)[N@@H+](C)CC1CC[NH2+]CC1 36785609 409319778 /nfs/dbraw/zinc/31/97/78/409319778.db2.gz AJFHNULGBBSNJW-SNVBAGLBSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 36787563 409319842 /nfs/dbraw/zinc/31/98/42/409319842.db2.gz UWHBXBAYBHMBQZ-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CCC[N@@H+](C)CCC1CC[NH2+]CC1 37098534 409320887 /nfs/dbraw/zinc/32/08/87/409320887.db2.gz MKEHRJYLQGDOKF-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 37097482 409320975 /nfs/dbraw/zinc/32/09/75/409320975.db2.gz KFROIPUZMVMJFV-LLVKDONJSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 37097483 409321246 /nfs/dbraw/zinc/32/12/46/409321246.db2.gz KFROIPUZMVMJFV-NSHDSACASA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C)C[C@H]1CCC[NH2+]C1 37098584 409321320 /nfs/dbraw/zinc/32/13/20/409321320.db2.gz IRISDXMWQZOWAG-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP CCC[N@@H+](CC)CC1CC[NH2+]CC1 37095227 409321521 /nfs/dbraw/zinc/32/15/21/409321521.db2.gz DYXGROQACIZECU-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](CC)C[C@@H]1CCC[NH2+]C1 37095225 409321696 /nfs/dbraw/zinc/32/16/96/409321696.db2.gz KFCPWMHUJHHGHW-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](C[C@H](C)[NH3+])C1CC1 37097159 409322004 /nfs/dbraw/zinc/32/20/04/409322004.db2.gz RZKSHXQOUKSTHF-QMMMGPOBSA-N 2 1 156.273 1.208 20 0 ADADMP CCC[N@@H+](CC)C[C@H]1CCC[NH2+]C1 37095226 409322088 /nfs/dbraw/zinc/32/20/88/409322088.db2.gz KFCPWMHUJHHGHW-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CCC[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37098583 409322359 /nfs/dbraw/zinc/32/23/59/409322359.db2.gz IRISDXMWQZOWAG-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CCC[N@@H+](C[C@@H](C)[NH3+])C1CC1 37097158 409322835 /nfs/dbraw/zinc/32/28/35/409322835.db2.gz RZKSHXQOUKSTHF-MRVPVSSYSA-N 2 1 156.273 1.208 20 0 ADADMP CCC[N@@H+](CC)C1CC[NH2+]CC1 37095169 409322930 /nfs/dbraw/zinc/32/29/30/409322930.db2.gz BRJNJBTYVLVXIO-UHFFFAOYSA-N 2 1 170.300 1.470 20 0 ADADMP CC(C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37108767 409324149 /nfs/dbraw/zinc/32/41/49/409324149.db2.gz QZDCDEIKPXDWEO-LLVKDONJSA-N 2 1 184.327 1.574 20 0 ADADMP CCCC[N@@H+]1CC[C@H]([NH2+]C)C1 37240425 409324203 /nfs/dbraw/zinc/32/42/03/409324203.db2.gz CQRFLBYVVWSHDG-VIFPVBQESA-N 2 1 156.273 1.080 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH2+]C)C1 37240425 409324211 /nfs/dbraw/zinc/32/42/11/409324211.db2.gz CQRFLBYVVWSHDG-VIFPVBQESA-N 2 1 156.273 1.080 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C1CC[NH2+]CC1 37173377 409324285 /nfs/dbraw/zinc/32/42/85/409324285.db2.gz CWGSMHUNNXIZTG-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37173552 409324427 /nfs/dbraw/zinc/32/44/27/409324427.db2.gz LGSKNOJYBMXWGY-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 37173555 409324589 /nfs/dbraw/zinc/32/45/89/409324589.db2.gz KQCQJKQLBKBXNK-NSHDSACASA-N 2 1 198.354 1.964 20 0 ADADMP CC[N@@H+](CC(C)C)C[C@H]1CCC[NH2+]C1 37111793 409324614 /nfs/dbraw/zinc/32/46/14/409324614.db2.gz YVBMFURWKNVGJH-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)C1CC[NH2+]CC1 37173376 409325142 /nfs/dbraw/zinc/32/51/42/409325142.db2.gz CWGSMHUNNXIZTG-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)[N@@H+](C)CC1CC[NH2+]CC1 37110452 409325268 /nfs/dbraw/zinc/32/52/68/409325268.db2.gz HNMLGGBACKMPSE-SNVBAGLBSA-N 2 1 184.327 1.716 20 0 ADADMP CC(C)C[N@@H+](C)CCC1CC[NH2+]CC1 37108668 409325308 /nfs/dbraw/zinc/32/53/08/409325308.db2.gz XXDDSVPTUSSZNH-UHFFFAOYSA-N 2 1 198.354 1.964 20 0 ADADMP CCCCC[N@H+](C)CC[NH3+] 37164766 409325340 /nfs/dbraw/zinc/32/53/40/409325340.db2.gz XRACCDCZKQVERE-UHFFFAOYSA-N 2 1 144.262 1.067 20 0 ADADMP CCCCC[N@@H+](C)CC[NH3+] 37164766 409325344 /nfs/dbraw/zinc/32/53/44/409325344.db2.gz XRACCDCZKQVERE-UHFFFAOYSA-N 2 1 144.262 1.067 20 0 ADADMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH2+]CC1 37173554 409325366 /nfs/dbraw/zinc/32/53/66/409325366.db2.gz KQCQJKQLBKBXNK-LLVKDONJSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[N@@H+](C)CC1CC[NH2+]CC1 37108769 409325483 /nfs/dbraw/zinc/32/54/83/409325483.db2.gz HYGVNDHKDLPDTI-UHFFFAOYSA-N 2 1 184.327 1.574 20 0 ADADMP CCCCC[N@@H+]1CC[C@H]([NH3+])C1 37240821 409325613 /nfs/dbraw/zinc/32/56/13/409325613.db2.gz ZFIZYLNPZZXLPD-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([NH3+])C1 37240821 409325616 /nfs/dbraw/zinc/32/56/16/409325616.db2.gz ZFIZYLNPZZXLPD-VIFPVBQESA-N 2 1 156.273 1.210 20 0 ADADMP CCCCC[N@@H+]1CC[C@@H]([NH3+])C1 37240823 409325670 /nfs/dbraw/zinc/32/56/70/409325670.db2.gz ZFIZYLNPZZXLPD-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([NH3+])C1 37240823 409325672 /nfs/dbraw/zinc/32/56/72/409325672.db2.gz ZFIZYLNPZZXLPD-SECBINFHSA-N 2 1 156.273 1.210 20 0 ADADMP CC(C)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 37108768 409325803 /nfs/dbraw/zinc/32/58/03/409325803.db2.gz QZDCDEIKPXDWEO-NSHDSACASA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@H](C)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37173553 409325821 /nfs/dbraw/zinc/32/58/21/409325821.db2.gz LGSKNOJYBMXWGY-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CCCCC[N@@H+](C)C1CC[NH2+]CC1 37116615 409325972 /nfs/dbraw/zinc/32/59/72/409325972.db2.gz GHEMREJQQBQYLH-UHFFFAOYSA-N 2 1 184.327 1.860 20 0 ADADMP CCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 37240427 409326049 /nfs/dbraw/zinc/32/60/49/409326049.db2.gz CQRFLBYVVWSHDG-SECBINFHSA-N 2 1 156.273 1.080 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH2+]C)C1 37240427 409326053 /nfs/dbraw/zinc/32/60/53/409326053.db2.gz CQRFLBYVVWSHDG-SECBINFHSA-N 2 1 156.273 1.080 20 0 ADADMP CC[N@@H+](CC(C)C)C[C@@H]1CCC[NH2+]C1 37111791 409326065 /nfs/dbraw/zinc/32/60/65/409326065.db2.gz YVBMFURWKNVGJH-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)[N@@H+](C)CC1CC[NH2+]CC1 37110453 409326393 /nfs/dbraw/zinc/32/63/93/409326393.db2.gz HNMLGGBACKMPSE-JTQLQIEISA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37110451 409326542 /nfs/dbraw/zinc/32/65/42/409326542.db2.gz HVYCVWBFIAYVFK-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC[N@@H+](CC(C)C)CC1CC[NH2+]CC1 37111795 409326570 /nfs/dbraw/zinc/32/65/70/409326570.db2.gz DLMQJSATTHRESQ-UHFFFAOYSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 37110450 409326741 /nfs/dbraw/zinc/32/67/41/409326741.db2.gz HVYCVWBFIAYVFK-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 651409090 409328025 /nfs/dbraw/zinc/32/80/25/409328025.db2.gz UZNDWQVFINWWHK-FOGDFJRCSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 651409090 409328030 /nfs/dbraw/zinc/32/80/30/409328030.db2.gz UZNDWQVFINWWHK-FOGDFJRCSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 651409089 409328212 /nfs/dbraw/zinc/32/82/12/409328212.db2.gz UZNDWQVFINWWHK-CKYFFXLPSA-N 2 1 196.338 1.857 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 651409089 409328216 /nfs/dbraw/zinc/32/82/16/409328216.db2.gz UZNDWQVFINWWHK-CKYFFXLPSA-N 2 1 196.338 1.857 20 0 ADADMP CC(C)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 37408315 409329508 /nfs/dbraw/zinc/32/95/08/409329508.db2.gz WAZDOMTYEYFSPX-LLVKDONJSA-N 2 1 196.338 1.716 20 0 ADADMP CCC[N@@H+](CC1CC1)C1CC[NH2+]CC1 37469603 409329545 /nfs/dbraw/zinc/32/95/45/409329545.db2.gz MEKICPWNFVZYLJ-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC(C)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 37408314 409329699 /nfs/dbraw/zinc/32/96/99/409329699.db2.gz WAZDOMTYEYFSPX-NSHDSACASA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[C@H](CC)[NH2+]CC[NH3+] 37712583 409333123 /nfs/dbraw/zinc/33/31/23/409333123.db2.gz UIGGSXDACNDPNT-UWVGGRQHSA-N 2 1 172.316 1.750 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])c1cccs1 37712665 409333182 /nfs/dbraw/zinc/33/31/82/409333182.db2.gz IOPPCWUGCYFVAA-QMMMGPOBSA-N 2 1 184.308 1.748 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])s1 37712588 409333202 /nfs/dbraw/zinc/33/32/02/409333202.db2.gz QVRMOJDQBSSLFE-MRVPVSSYSA-N 2 1 184.308 1.666 20 0 ADADMP CCC1CCC([NH2+]CC[NH3+])CC1 37712285 409333270 /nfs/dbraw/zinc/33/32/70/409333270.db2.gz HTVGKCWBEMBNFC-UHFFFAOYSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])c1cccs1 37712666 409333288 /nfs/dbraw/zinc/33/32/88/409333288.db2.gz IOPPCWUGCYFVAA-MRVPVSSYSA-N 2 1 184.308 1.748 20 0 ADADMP CC[C@@H](C)C[C@@H](CC)[NH2+]CC[NH3+] 37712580 409333363 /nfs/dbraw/zinc/33/33/63/409333363.db2.gz UIGGSXDACNDPNT-NXEZZACHSA-N 2 1 172.316 1.750 20 0 ADADMP CCc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 37712578 409333438 /nfs/dbraw/zinc/33/34/38/409333438.db2.gz WIFKGWXBWBTYDY-SNVBAGLBSA-N 2 1 192.306 1.858 20 0 ADADMP CC(C)CC[C@@H](C)[NH2+]CC[NH3+] 37712570 409333519 /nfs/dbraw/zinc/33/35/19/409333519.db2.gz ZDLNXUACMLAWIU-SECBINFHSA-N 2 1 158.289 1.359 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]CC[NH3+])s1 37712589 409333535 /nfs/dbraw/zinc/33/35/35/409333535.db2.gz QVRMOJDQBSSLFE-QMMMGPOBSA-N 2 1 184.308 1.666 20 0 ADADMP CCc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 37712579 409333555 /nfs/dbraw/zinc/33/35/55/409333555.db2.gz WIFKGWXBWBTYDY-JTQLQIEISA-N 2 1 192.306 1.858 20 0 ADADMP CC[C@@H](C[C@H](C)CC)[NH2+]CC[NH3+] 37712582 409333625 /nfs/dbraw/zinc/33/36/25/409333625.db2.gz UIGGSXDACNDPNT-ZJUUUORDSA-N 2 1 172.316 1.750 20 0 ADADMP CCCC[C@@H](C)[NH2+]CC[NH3+] 37712920 409333679 /nfs/dbraw/zinc/33/36/79/409333679.db2.gz GLJJWFXKQHNNGY-MRVPVSSYSA-N 2 1 144.262 1.113 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1 37712427 409333713 /nfs/dbraw/zinc/33/37/13/409333713.db2.gz KSTQBJOWRCOGLX-NSHDSACASA-N 2 1 196.269 1.825 20 0 ADADMP C[C@@H](CCc1ccco1)[NH2+]CC[NH3+] 37712781 409333744 /nfs/dbraw/zinc/33/37/44/409333744.db2.gz YITREBYJZYKCMN-VIFPVBQESA-N 2 1 182.267 1.149 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1C 37712572 409333786 /nfs/dbraw/zinc/33/37/86/409333786.db2.gz FYUNIIIXPIHNGP-LLVKDONJSA-N 2 1 192.306 1.913 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])c(C)c1 37712473 409333942 /nfs/dbraw/zinc/33/39/42/409333942.db2.gz ZSEJZFUGNCFYNK-LLVKDONJSA-N 2 1 192.306 1.913 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])c1ccc(C)cc1 37712498 409334032 /nfs/dbraw/zinc/33/40/32/409334032.db2.gz HSIBVWYVQCSUEP-LBPRGKRZSA-N 2 1 192.306 1.994 20 0 ADADMP C[C@H](CCc1ccccc1)[NH2+]CC[NH3+] 37712340 409334117 /nfs/dbraw/zinc/33/41/17/409334117.db2.gz MFHACZWXMFDKEH-LLVKDONJSA-N 2 1 192.306 1.556 20 0 ADADMP Cc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 37712345 409334155 /nfs/dbraw/zinc/33/41/55/409334155.db2.gz IKKWNEBAXPECQT-SNVBAGLBSA-N 2 1 178.279 1.604 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 37712346 409334211 /nfs/dbraw/zinc/33/42/11/409334211.db2.gz IKKWNEBAXPECQT-JTQLQIEISA-N 2 1 178.279 1.604 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])c1ccccc1 37712348 409334232 /nfs/dbraw/zinc/33/42/32/409334232.db2.gz XYEMUWMYPKONJG-LLVKDONJSA-N 2 1 178.279 1.686 20 0 ADADMP CC(C)CC[C@H](C)[NH2+]CC[NH3+] 37712571 409334242 /nfs/dbraw/zinc/33/42/42/409334242.db2.gz ZDLNXUACMLAWIU-VIFPVBQESA-N 2 1 158.289 1.359 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(C)cc1 37712499 409334292 /nfs/dbraw/zinc/33/42/92/409334292.db2.gz HSIBVWYVQCSUEP-GFCCVEGCSA-N 2 1 192.306 1.994 20 0 ADADMP C[N@@H+](CCCC[NH2+]CC1CC1)C1CC1 651600480 409334328 /nfs/dbraw/zinc/33/43/28/409334328.db2.gz GJWQCGCXYOKDFN-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP Cc1cccc([C@H](C)[NH2+]CC[NH3+])c1 37712943 409334335 /nfs/dbraw/zinc/33/43/35/409334335.db2.gz KRFZISBVBLUCDE-JTQLQIEISA-N 2 1 178.279 1.604 20 0 ADADMP CCCC(CCC)[NH2+]CC[NH3+] 37712568 409334381 /nfs/dbraw/zinc/33/43/81/409334381.db2.gz IACBWSDPESBYOX-UHFFFAOYSA-N 2 1 158.289 1.504 20 0 ADADMP Cc1ccc(C)c([C@@H](C)[NH2+]CC[NH3+])c1 37712483 409334389 /nfs/dbraw/zinc/33/43/89/409334389.db2.gz AYPFNVNEFJUROM-LLVKDONJSA-N 2 1 192.306 1.913 20 0 ADADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH3+] 37712308 409334410 /nfs/dbraw/zinc/33/44/10/409334410.db2.gz ILKNDZFFIZSMJP-IJLUTSLNSA-N 2 1 198.354 1.996 20 0 ADADMP C[C@H](CCc1ccco1)[NH2+]CC[NH3+] 37712782 409334457 /nfs/dbraw/zinc/33/44/57/409334457.db2.gz YITREBYJZYKCMN-SECBINFHSA-N 2 1 182.267 1.149 20 0 ADADMP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccccc1 37713016 409334553 /nfs/dbraw/zinc/33/45/53/409334553.db2.gz HBUWDBYVIYHSIR-GFCCVEGCSA-N 2 1 192.306 1.932 20 0 ADADMP CCCC[C@H](C)[NH2+]CC[NH3+] 37712921 409334619 /nfs/dbraw/zinc/33/46/19/409334619.db2.gz GLJJWFXKQHNNGY-QMMMGPOBSA-N 2 1 144.262 1.113 20 0 ADADMP Cc1ccc(C)c([C@H](C)[NH2+]CC[NH3+])c1 37712484 409334631 /nfs/dbraw/zinc/33/46/31/409334631.db2.gz AYPFNVNEFJUROM-NSHDSACASA-N 2 1 192.306 1.913 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])c1ccccc1 37712347 409334642 /nfs/dbraw/zinc/33/46/42/409334642.db2.gz XYEMUWMYPKONJG-NSHDSACASA-N 2 1 178.279 1.686 20 0 ADADMP CC[C@H](C)C[C@@H](CC)[NH2+]CC[NH3+] 37712581 409334723 /nfs/dbraw/zinc/33/47/23/409334723.db2.gz UIGGSXDACNDPNT-VHSXEESVSA-N 2 1 172.316 1.750 20 0 ADADMP CC(C)CC(CC(C)C)[NH2+]CC[NH3+] 37712681 409334739 /nfs/dbraw/zinc/33/47/39/409334739.db2.gz NGJDWJJTCAKCIA-UHFFFAOYSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1 37712428 409334878 /nfs/dbraw/zinc/33/48/78/409334878.db2.gz KSTQBJOWRCOGLX-LLVKDONJSA-N 2 1 196.269 1.825 20 0 ADADMP CCCC1CCC([NH2+]CC[NH3+])CC1 37712641 409335014 /nfs/dbraw/zinc/33/50/14/409335014.db2.gz KHPVHTOQUQJGKQ-UHFFFAOYSA-N 2 1 184.327 1.894 20 0 ADADMP Cc1cccc([C@@H](C)[NH2+]CC[NH3+])c1 37712942 409335050 /nfs/dbraw/zinc/33/50/50/409335050.db2.gz KRFZISBVBLUCDE-SNVBAGLBSA-N 2 1 178.279 1.604 20 0 ADADMP CC(C)[C@H]([NH2+]CC[NH3+])c1ccccc1 37713015 409335105 /nfs/dbraw/zinc/33/51/05/409335105.db2.gz HBUWDBYVIYHSIR-LBPRGKRZSA-N 2 1 192.306 1.932 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]CC[NH3+])cc1C 37712573 409335122 /nfs/dbraw/zinc/33/51/22/409335122.db2.gz FYUNIIIXPIHNGP-NSHDSACASA-N 2 1 192.306 1.913 20 0 ADADMP Cc1ccc([C@H](C)[NH2+]CC[NH3+])c(C)c1 37712474 409335147 /nfs/dbraw/zinc/33/51/47/409335147.db2.gz ZSEJZFUGNCFYNK-NSHDSACASA-N 2 1 192.306 1.913 20 0 ADADMP C[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 37925721 409338713 /nfs/dbraw/zinc/33/87/13/409338713.db2.gz UIFHHUCFDZJSSK-LLVKDONJSA-N 2 1 182.311 1.328 20 0 ADADMP C[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 37925722 409338737 /nfs/dbraw/zinc/33/87/37/409338737.db2.gz UIFHHUCFDZJSSK-NSHDSACASA-N 2 1 182.311 1.328 20 0 ADADMP CC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 37989517 409338898 /nfs/dbraw/zinc/33/88/98/409338898.db2.gz AZROHGIWIGUPHP-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[N@@H+](CCC1CC[NH2+]CC1)CC1CC1 38076100 409340194 /nfs/dbraw/zinc/34/01/94/409340194.db2.gz BYXWKRDVXLWTFZ-UHFFFAOYSA-N 2 1 196.338 1.718 20 0 ADADMP C[N@H+](CC1CC[NH2+]CC1)CC1CC1 37925715 409340872 /nfs/dbraw/zinc/34/08/72/409340872.db2.gz MKWGQWQFXRJCNV-UHFFFAOYSA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 40592319 409342898 /nfs/dbraw/zinc/34/28/98/409342898.db2.gz UAWJBJOGZDHJMH-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)C[N@H+]1CCC[C@H](C[NH2+]C)C1 40593316 409342995 /nfs/dbraw/zinc/34/29/95/409342995.db2.gz YQVFAWPOPSSMST-VXGBXAGGSA-N 2 1 198.354 1.964 20 0 ADADMP CCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 40593131 409343032 /nfs/dbraw/zinc/34/30/32/409343032.db2.gz KBYDKWLFUHVOQL-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CC[C@H](C)C[N@H+]1CCC[C@H](C[NH2+]C)C1 40593319 409343136 /nfs/dbraw/zinc/34/31/36/409343136.db2.gz YQVFAWPOPSSMST-NWDGAFQWSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 40407822 409343576 /nfs/dbraw/zinc/34/35/76/409343576.db2.gz ZNKCNXLOSTVGLS-UWVGGRQHSA-N 2 1 170.300 1.517 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 40407818 409343710 /nfs/dbraw/zinc/34/37/10/409343710.db2.gz ZNKCNXLOSTVGLS-ZJUUUORDSA-N 2 1 170.300 1.517 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 40592316 409343833 /nfs/dbraw/zinc/34/38/33/409343833.db2.gz UAWJBJOGZDHJMH-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C1CCC([NH2+]CC[NH2+]C2CC2)CC1 40397775 409343880 /nfs/dbraw/zinc/34/38/80/409343880.db2.gz KQPIDHMJOQKVPT-UHFFFAOYSA-N 2 1 182.311 1.661 20 0 ADADMP C1CCC([NH2+]CC[NH2+]C2CC2)C1 40408486 409343893 /nfs/dbraw/zinc/34/38/93/409343893.db2.gz OTXZLHOXKNHSBL-UHFFFAOYSA-N 2 1 168.284 1.271 20 0 ADADMP CC[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 40407827 409344011 /nfs/dbraw/zinc/34/40/11/409344011.db2.gz ZNKCNXLOSTVGLS-VHSXEESVSA-N 2 1 170.300 1.517 20 0 ADADMP CCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 40593134 409344381 /nfs/dbraw/zinc/34/43/81/409344381.db2.gz KBYDKWLFUHVOQL-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CC[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 40407825 409344513 /nfs/dbraw/zinc/34/45/13/409344513.db2.gz ZNKCNXLOSTVGLS-NXEZZACHSA-N 2 1 170.300 1.517 20 0 ADADMP [NH3+]CC[NH2+][C@H](c1ccccc1)C1CC1 41075705 409346143 /nfs/dbraw/zinc/34/61/43/409346143.db2.gz GCHIVWMFUZMWFI-GFCCVEGCSA-N 2 1 190.290 1.686 20 0 ADADMP CCC[N@@H+](CC(C)(C)[NH3+])C1CC1 40925880 409346336 /nfs/dbraw/zinc/34/63/36/409346336.db2.gz VLTVKMVQQFVFAE-UHFFFAOYSA-N 2 1 170.300 1.598 20 0 ADADMP CCCC[N@@H+](C)CC(C)(C)[NH3+] 40925777 409346772 /nfs/dbraw/zinc/34/67/72/409346772.db2.gz DZWHFVKRCYLYKJ-UHFFFAOYSA-N 2 1 158.289 1.456 20 0 ADADMP [NH3+]CC[NH2+][C@@H](c1ccccc1)C1CC1 41075704 409346967 /nfs/dbraw/zinc/34/69/67/409346967.db2.gz GCHIVWMFUZMWFI-LBPRGKRZSA-N 2 1 190.290 1.686 20 0 ADADMP CCCCC[N@@H+]1CCC[C@H]([NH3+])C1 40740117 409347462 /nfs/dbraw/zinc/34/74/62/409347462.db2.gz KJDNGBPARIYKFO-JTQLQIEISA-N 2 1 170.300 1.600 20 0 ADADMP CCCCC[N@H+]1CCC[C@H]([NH3+])C1 40740117 409347470 /nfs/dbraw/zinc/34/74/70/409347470.db2.gz KJDNGBPARIYKFO-JTQLQIEISA-N 2 1 170.300 1.600 20 0 ADADMP CCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 40740119 409348066 /nfs/dbraw/zinc/34/80/66/409348066.db2.gz KJDNGBPARIYKFO-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCCCC[N@H+]1CCC[C@@H]([NH3+])C1 40740119 409348073 /nfs/dbraw/zinc/34/80/73/409348073.db2.gz KJDNGBPARIYKFO-SNVBAGLBSA-N 2 1 170.300 1.600 20 0 ADADMP CCc1ccc([C@H](C)[NH2+]CC[NH3+])s1 41631660 409349250 /nfs/dbraw/zinc/34/92/50/409349250.db2.gz UWYDXOOETNIXOM-QMMMGPOBSA-N 2 1 198.335 1.920 20 0 ADADMP CCCCC[N@@H+]1CCC[C@@H]1C[NH2+]C 42390277 409349906 /nfs/dbraw/zinc/34/99/06/409349906.db2.gz XPGMVPURYWFWKC-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CCCCC[N@H+]1CCC[C@@H]1C[NH2+]C 42390277 409349912 /nfs/dbraw/zinc/34/99/12/409349912.db2.gz XPGMVPURYWFWKC-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CCc1ccc([C@@H](C)[NH2+]CC[NH3+])s1 41631656 409350116 /nfs/dbraw/zinc/35/01/16/409350116.db2.gz UWYDXOOETNIXOM-MRVPVSSYSA-N 2 1 198.335 1.920 20 0 ADADMP CCCCC[N@@H+]1CCC[C@H]1C[NH2+]C 42390280 409350449 /nfs/dbraw/zinc/35/04/49/409350449.db2.gz XPGMVPURYWFWKC-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CCCCC[N@H+]1CCC[C@H]1C[NH2+]C 42390280 409350452 /nfs/dbraw/zinc/35/04/52/409350452.db2.gz XPGMVPURYWFWKC-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(C)(C)C 42779645 409351632 /nfs/dbraw/zinc/35/16/32/409351632.db2.gz WDRUWMRKJNPPNS-JTQLQIEISA-N 2 1 186.343 1.962 20 0 ADADMP C[NH2+]CCC[N@@H+](C)[C@H](C)C(C)(C)C 42779647 409352158 /nfs/dbraw/zinc/35/21/58/409352158.db2.gz WDRUWMRKJNPPNS-SNVBAGLBSA-N 2 1 186.343 1.962 20 0 ADADMP CC(C)C[N@H+](C1CC[NH2+]CC1)C1CC1 43501191 409352207 /nfs/dbraw/zinc/35/22/07/409352207.db2.gz SEYZHQUCZRCGNM-UHFFFAOYSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 42864239 409352307 /nfs/dbraw/zinc/35/23/07/409352307.db2.gz SHTDCVCNLFZKAP-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 42864239 409352314 /nfs/dbraw/zinc/35/23/14/409352314.db2.gz SHTDCVCNLFZKAP-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 42864233 409352751 /nfs/dbraw/zinc/35/27/51/409352751.db2.gz SHTDCVCNLFZKAP-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 42864233 409352758 /nfs/dbraw/zinc/35/27/58/409352758.db2.gz SHTDCVCNLFZKAP-TUAOUCFPSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH2+]CCC[N@@H+](CC(C)C)C1CC1 42559263 409353373 /nfs/dbraw/zinc/35/33/73/409353373.db2.gz JCSDWWUCUWAGNP-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@H]([NH3+])C1 42864236 409353784 /nfs/dbraw/zinc/35/37/84/409353784.db2.gz SHTDCVCNLFZKAP-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H]([NH3+])C1 42864236 409353788 /nfs/dbraw/zinc/35/37/88/409353788.db2.gz SHTDCVCNLFZKAP-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)C 43327572 409353888 /nfs/dbraw/zinc/35/38/88/409353888.db2.gz NDAOIUYHSOBAKL-QWRGUYRKSA-N 2 1 184.327 1.763 20 0 ADADMP CCC[N@H+](C1CC[NH2+]CC1)C1CC1 43501177 409354045 /nfs/dbraw/zinc/35/40/45/409354045.db2.gz LNIWWNTVBHBYNL-UHFFFAOYSA-N 2 1 182.311 1.613 20 0 ADADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@H]([NH3+])C1 42864230 409354091 /nfs/dbraw/zinc/35/40/91/409354091.db2.gz SHTDCVCNLFZKAP-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H]([NH3+])C1 42864230 409354095 /nfs/dbraw/zinc/35/40/95/409354095.db2.gz SHTDCVCNLFZKAP-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH2+]CCC[N@@H+](CC1CC1)C(C)C 42590341 409354160 /nfs/dbraw/zinc/35/41/60/409354160.db2.gz SIZLTAWENZTKEZ-UHFFFAOYSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)C 43327570 409354252 /nfs/dbraw/zinc/35/42/52/409354252.db2.gz NDAOIUYHSOBAKL-MNOVXSKESA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C(C)C 43327573 409354331 /nfs/dbraw/zinc/35/43/31/409354331.db2.gz NDAOIUYHSOBAKL-WDEREUQCSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43327552 409354384 /nfs/dbraw/zinc/35/43/84/409354384.db2.gz XQHCZPXDEBGAIH-GMTAPVOTSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C(C)C 43327571 409354411 /nfs/dbraw/zinc/35/44/11/409354411.db2.gz NDAOIUYHSOBAKL-GHMZBOCLSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]CCC[N@@H+](CC(C)C)C(C)C 42590314 409354494 /nfs/dbraw/zinc/35/44/94/409354494.db2.gz MCEXCKPMBZTDIC-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43327553 409354528 /nfs/dbraw/zinc/35/45/28/409354528.db2.gz XQHCZPXDEBGAIH-HBNTYKKESA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43327555 409354649 /nfs/dbraw/zinc/35/46/49/409354649.db2.gz XQHCZPXDEBGAIH-GARJFASQSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 43327554 409354715 /nfs/dbraw/zinc/35/47/15/409354715.db2.gz XQHCZPXDEBGAIH-OUAUKWLOSA-N 2 1 184.327 1.763 20 0 ADADMP CCCC[N@@H+](C[C@H](C)[NH3+])C1CC1 44384026 409355475 /nfs/dbraw/zinc/35/54/75/409355475.db2.gz BHPHTEVQGKBTJH-VIFPVBQESA-N 2 1 170.300 1.598 20 0 ADADMP CCCC[N@@H+](C[C@@H](C)[NH3+])C1CC1 44384022 409356523 /nfs/dbraw/zinc/35/65/23/409356523.db2.gz BHPHTEVQGKBTJH-SECBINFHSA-N 2 1 170.300 1.598 20 0 ADADMP C[N@@H+](CC1CC[NH2+]CC1)CC(C)(C)C 45074014 409362644 /nfs/dbraw/zinc/36/26/44/409362644.db2.gz AOJGCRCQKHQJEX-UHFFFAOYSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[NH2+]CCC[N@@H+](C)C(C)C 47888346 409365045 /nfs/dbraw/zinc/36/50/45/409365045.db2.gz JQUADCXOBBPEEK-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP Cc1[nH+]ccn1CCC[NH2+]CC(C)C 48327105 409369227 /nfs/dbraw/zinc/36/92/27/409369227.db2.gz DISLTZSDPHAGLZ-UHFFFAOYSA-N 2 1 195.310 1.827 20 0 ADADMP C[N@@H+](CCC[NH3+])CCC(C)(C)C 49254306 409371794 /nfs/dbraw/zinc/37/17/94/409371794.db2.gz QFWCJJITZROPRX-UHFFFAOYSA-N 2 1 172.316 1.703 20 0 ADADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CC1 653496345 409372078 /nfs/dbraw/zinc/37/20/78/409372078.db2.gz NYJNGUPQXOJTLL-UHFFFAOYSA-N 2 1 193.294 1.447 20 0 ADADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CC1 653496345 409372085 /nfs/dbraw/zinc/37/20/85/409372085.db2.gz NYJNGUPQXOJTLL-UHFFFAOYSA-N 2 1 193.294 1.447 20 0 ADADMP CCC[N@H+]1CC[C@H](C[NH2+]CC(C)C)C1 49592625 409372553 /nfs/dbraw/zinc/37/25/53/409372553.db2.gz WXJPKQVLYZOAMS-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CCC[N@H+]1CC[C@@H](C[NH2+]CC(C)C)C1 49592627 409372712 /nfs/dbraw/zinc/37/27/12/409372712.db2.gz WXJPKQVLYZOAMS-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 49707816 409372736 /nfs/dbraw/zinc/37/27/36/409372736.db2.gz JGIMCMSKAMGJOV-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 49707818 409373385 /nfs/dbraw/zinc/37/33/85/409373385.db2.gz JGIMCMSKAMGJOV-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CCCCOCC[N@@H+](C)CCC[NH3+] 49261634 409373986 /nfs/dbraw/zinc/37/39/86/409373986.db2.gz TVOLKQUDGDVRJF-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 50245446 409378847 /nfs/dbraw/zinc/37/88/47/409378847.db2.gz ZMTJTDGBFDHKFA-NXEZZACHSA-N 2 1 170.300 1.313 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@@H](C[NH3+])C1 50245298 409378944 /nfs/dbraw/zinc/37/89/44/409378944.db2.gz KYHBUMDUQRXZKV-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP CC[NH2+][C@@H](C[NH3+])C1CCCCC1 50270234 409379067 /nfs/dbraw/zinc/37/90/67/409379067.db2.gz DCSSTIAUBCNTDT-JTQLQIEISA-N 2 1 170.300 1.504 20 0 ADADMP CCC[NH2+][C@@H](C[NH3+])C(C)(C)C 50270694 409379639 /nfs/dbraw/zinc/37/96/39/409379639.db2.gz CNNSMWUXISHKFG-QMMMGPOBSA-N 2 1 158.289 1.359 20 0 ADADMP CCC[NH2+][C@@](C)(C[NH3+])C1CC1 50270651 409379820 /nfs/dbraw/zinc/37/98/20/409379820.db2.gz KNRNUOZYIGVSIA-VIFPVBQESA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 50245447 409379837 /nfs/dbraw/zinc/37/98/37/409379837.db2.gz ZMTJTDGBFDHKFA-VHSXEESVSA-N 2 1 170.300 1.313 20 0 ADADMP CC[NH2+][C@H](C[NH3+])C1CCCCC1 50270235 409379951 /nfs/dbraw/zinc/37/99/51/409379951.db2.gz DCSSTIAUBCNTDT-SNVBAGLBSA-N 2 1 170.300 1.504 20 0 ADADMP CCCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 50890058 409380401 /nfs/dbraw/zinc/38/04/01/409380401.db2.gz HWXAUTQUHGTMNB-SNVBAGLBSA-N 2 1 184.327 1.907 20 0 ADADMP CCC(CC)C[N@H+]1CC[C@H](C[NH3+])C1 50245297 409380416 /nfs/dbraw/zinc/38/04/16/409380416.db2.gz KYHBUMDUQRXZKV-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H](C)[C@H]1C 50566555 409380532 /nfs/dbraw/zinc/38/05/32/409380532.db2.gz CPFYSOWKGWFGJI-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H](C)[C@H]1C 50566556 409380596 /nfs/dbraw/zinc/38/05/96/409380596.db2.gz CPFYSOWKGWFGJI-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CCCC[C@H](C)[NH2+]CC[NH2+]C1CC1 50890059 409380637 /nfs/dbraw/zinc/38/06/37/409380637.db2.gz HWXAUTQUHGTMNB-JTQLQIEISA-N 2 1 184.327 1.907 20 0 ADADMP CCC[NH2+][C@@](C)(C[NH3+])C(C)C 50270696 409380911 /nfs/dbraw/zinc/38/09/11/409380911.db2.gz HMZGLFFRNOWBHL-VIFPVBQESA-N 2 1 158.289 1.359 20 0 ADADMP CC(C)[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 51889805 409383088 /nfs/dbraw/zinc/38/30/88/409383088.db2.gz YQXSRHOZCOZKEP-GFCCVEGCSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 51889790 409383034 /nfs/dbraw/zinc/38/30/34/409383034.db2.gz CBLLHLZVLVDAAG-LLVKDONJSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)C(C)(C)C 51889857 409383050 /nfs/dbraw/zinc/38/30/50/409383050.db2.gz GMTZSDFPTPBOQC-WDEREUQCSA-N 2 1 198.354 1.962 20 0 ADADMP C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)[C@@H]1C 51890175 409383108 /nfs/dbraw/zinc/38/31/08/409383108.db2.gz XKCHDFAJTVDMOO-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 51918968 409383172 /nfs/dbraw/zinc/38/31/72/409383172.db2.gz FKZGEXKEELKSIG-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 51889792 409383513 /nfs/dbraw/zinc/38/35/13/409383513.db2.gz CBLLHLZVLVDAAG-NSHDSACASA-N 2 1 196.338 1.716 20 0 ADADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC1 51919089 409383720 /nfs/dbraw/zinc/38/37/20/409383720.db2.gz ZHWLEJWIPFXRSB-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[N@@H+](C[C@H]1CC[NH2+]C1)CC(C)(C)C 51890104 409384353 /nfs/dbraw/zinc/38/43/53/409384353.db2.gz RGSYFTCMOYJBTC-JTQLQIEISA-N 2 1 184.327 1.574 20 0 ADADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)CC(C)(C)C 51890102 409384369 /nfs/dbraw/zinc/38/43/69/409384369.db2.gz RGSYFTCMOYJBTC-SNVBAGLBSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 53012292 409384574 /nfs/dbraw/zinc/38/45/74/409384574.db2.gz OGGVKEPFCSHHDO-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC1CC1 51919091 409384775 /nfs/dbraw/zinc/38/47/75/409384775.db2.gz ZHWLEJWIPFXRSB-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 53012294 409384875 /nfs/dbraw/zinc/38/48/75/409384875.db2.gz OGGVKEPFCSHHDO-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)C[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)C 51889801 409384991 /nfs/dbraw/zinc/38/49/91/409384991.db2.gz PBXJRYJIOHQSTG-GFCCVEGCSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH2+]CCCn1c[nH+]c(C)c1C 51927758 409385173 /nfs/dbraw/zinc/38/51/73/409385173.db2.gz PZKMHOBZUSGBAZ-UHFFFAOYSA-N 2 1 167.256 1.109 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 51918966 409385238 /nfs/dbraw/zinc/38/52/38/409385238.db2.gz FKZGEXKEELKSIG-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 51889807 409385309 /nfs/dbraw/zinc/38/53/09/409385309.db2.gz YQXSRHOZCOZKEP-LBPRGKRZSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@@H+](C[C@H]1CC[NH2+]C1)C(C)C 51889803 409385335 /nfs/dbraw/zinc/38/53/35/409385335.db2.gz PBXJRYJIOHQSTG-LBPRGKRZSA-N 2 1 198.354 1.962 20 0 ADADMP CCCC[N@H+]1CCC[C@H]([NH2+]C)C1 53201331 409387190 /nfs/dbraw/zinc/38/71/90/409387190.db2.gz UCIONPCCLOKGQD-JTQLQIEISA-N 2 1 170.300 1.470 20 0 ADADMP C[C@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 53388288 409386165 /nfs/dbraw/zinc/38/61/65/409386165.db2.gz GAUKTUNMMBITEP-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 53388290 409386257 /nfs/dbraw/zinc/38/62/57/409386257.db2.gz GAUKTUNMMBITEP-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 53388336 409386320 /nfs/dbraw/zinc/38/63/20/409386320.db2.gz FLIFGVLIFNKGMP-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 53388334 409386488 /nfs/dbraw/zinc/38/64/88/409386488.db2.gz FLIFGVLIFNKGMP-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 53388396 409386618 /nfs/dbraw/zinc/38/66/18/409386618.db2.gz ZFFMULUBJCKXSN-MRVPVSSYSA-N 2 1 168.284 1.127 20 0 ADADMP CC(C)[C@@H](C)[NH2+]CC[NH2+]C1CC1 53388380 409386686 /nfs/dbraw/zinc/38/66/86/409386686.db2.gz WEPHSSBJFWCMHT-SECBINFHSA-N 2 1 170.300 1.373 20 0 ADADMP CCCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 53201833 409386729 /nfs/dbraw/zinc/38/67/29/409386729.db2.gz KXTWINMYGNFSDE-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CCCCC[N@H+]1CCC[C@@H]([NH2+]C)C1 53201833 409386735 /nfs/dbraw/zinc/38/67/35/409386735.db2.gz KXTWINMYGNFSDE-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 53388330 409386922 /nfs/dbraw/zinc/38/69/22/409386922.db2.gz FLIFGVLIFNKGMP-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 53388395 409386944 /nfs/dbraw/zinc/38/69/44/409386944.db2.gz ZFFMULUBJCKXSN-QMMMGPOBSA-N 2 1 168.284 1.127 20 0 ADADMP CCCCC[N@@H+]1CCC[C@H]([NH2+]C)C1 53201832 409387094 /nfs/dbraw/zinc/38/70/94/409387094.db2.gz KXTWINMYGNFSDE-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CCCCC[N@H+]1CCC[C@H]([NH2+]C)C1 53201832 409387098 /nfs/dbraw/zinc/38/70/98/409387098.db2.gz KXTWINMYGNFSDE-NSHDSACASA-N 2 1 184.327 1.860 20 0 ADADMP CCCC[N@@H+]1CCC[C@H]([NH2+]C)C1 53201331 409387183 /nfs/dbraw/zinc/38/71/83/409387183.db2.gz UCIONPCCLOKGQD-JTQLQIEISA-N 2 1 170.300 1.470 20 0 ADADMP C[C@H]1CCC[C@H]([NH2+]CC[NH2+]C2CC2)C1 53388332 409387268 /nfs/dbraw/zinc/38/72/68/409387268.db2.gz FLIFGVLIFNKGMP-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 53388287 409387623 /nfs/dbraw/zinc/38/76/23/409387623.db2.gz GAUKTUNMMBITEP-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 53388292 409387993 /nfs/dbraw/zinc/38/79/93/409387993.db2.gz GAUKTUNMMBITEP-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP CC1CCC([NH2+]CC[NH2+]C2CC2)CC1 53388277 409388028 /nfs/dbraw/zinc/38/80/28/409388028.db2.gz KGANVDCPAUZCFB-UHFFFAOYSA-N 2 1 196.338 1.907 20 0 ADADMP CCCC[N@@H+]1CCC[C@@H]([NH2+]C)C1 53201332 409388101 /nfs/dbraw/zinc/38/81/01/409388101.db2.gz UCIONPCCLOKGQD-SNVBAGLBSA-N 2 1 170.300 1.470 20 0 ADADMP CCCC[N@H+]1CCC[C@@H]([NH2+]C)C1 53201332 409388105 /nfs/dbraw/zinc/38/81/05/409388105.db2.gz UCIONPCCLOKGQD-SNVBAGLBSA-N 2 1 170.300 1.470 20 0 ADADMP CC(C)[C@H](C)[NH2+]CC[NH2+]C1CC1 53388382 409388319 /nfs/dbraw/zinc/38/83/19/409388319.db2.gz WEPHSSBJFWCMHT-VIFPVBQESA-N 2 1 170.300 1.373 20 0 ADADMP CCC[C@H](C)[NH2+]CC[NH2+]C1CC1 53388307 409388543 /nfs/dbraw/zinc/38/85/43/409388543.db2.gz AQCFRTSQBJZOCU-VIFPVBQESA-N 2 1 170.300 1.517 20 0 ADADMP CCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 53388305 409388650 /nfs/dbraw/zinc/38/86/50/409388650.db2.gz AQCFRTSQBJZOCU-SECBINFHSA-N 2 1 170.300 1.517 20 0 ADADMP C[C@H]([NH2+]CC[NH3+])C1CCCC1 54080480 409389387 /nfs/dbraw/zinc/38/93/87/409389387.db2.gz DYRWEQGXYMSGTA-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP CC(C)CCC[C@@H](C)[NH2+]CC[NH3+] 58839603 409393661 /nfs/dbraw/zinc/39/36/61/409393661.db2.gz WOFTUCABJFAPAL-SNVBAGLBSA-N 2 1 172.316 1.750 20 0 ADADMP CC[C@@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C1 54472718 409394574 /nfs/dbraw/zinc/39/45/74/409394574.db2.gz HICAUSYXOBNYNG-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H]([NH2+]C)C1 54472718 409394579 /nfs/dbraw/zinc/39/45/79/409394579.db2.gz HICAUSYXOBNYNG-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)C1CCC([NH2+]CC[NH3+])CC1 54555972 409394901 /nfs/dbraw/zinc/39/49/01/409394901.db2.gz ZNINHNWBIOYHGS-UHFFFAOYSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 54472776 409395107 /nfs/dbraw/zinc/39/51/07/409395107.db2.gz GVXRJRMTWIRHML-AXFHLTTASA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H](C[NH2+]C)C1 54473451 409395928 /nfs/dbraw/zinc/39/59/28/409395928.db2.gz BIQCKLFNCVIKNV-WDEREUQCSA-N 2 1 184.327 1.574 20 0 ADADMP CC[C@H](C)C[N@@H+]1CC[C@H]([NH2+]C)C1 54472722 409396036 /nfs/dbraw/zinc/39/60/36/409396036.db2.gz HICAUSYXOBNYNG-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]([NH2+]C)C1 54472722 409396041 /nfs/dbraw/zinc/39/60/41/409396041.db2.gz HICAUSYXOBNYNG-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP CC(C)CCC[C@H](C)[NH2+]CC[NH3+] 58839605 409396251 /nfs/dbraw/zinc/39/62/51/409396251.db2.gz WOFTUCABJFAPAL-JTQLQIEISA-N 2 1 172.316 1.750 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@H](C[NH2+]C)C1 54473449 409396325 /nfs/dbraw/zinc/39/63/25/409396325.db2.gz BIQCKLFNCVIKNV-GHMZBOCLSA-N 2 1 184.327 1.574 20 0 ADADMP CN(CC1CCC1)CC(C)(C)[NH3+] 61482978 409398832 /nfs/dbraw/zinc/39/88/32/409398832.db2.gz WJAXTQHRPKODSS-UHFFFAOYSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CCC[N@@H+]1CC[C@@H]([NH3+])C1 62097915 409401254 /nfs/dbraw/zinc/40/12/54/409401254.db2.gz SJDZFBVJHKERKJ-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CCC[N@H+]1CC[C@@H]([NH3+])C1 62097915 409401260 /nfs/dbraw/zinc/40/12/60/409401260.db2.gz SJDZFBVJHKERKJ-SNVBAGLBSA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CCC[N@H+]1CC[C@H](C[NH3+])C1 62098070 409402375 /nfs/dbraw/zinc/40/23/75/409402375.db2.gz OPKLLBGCBHWIDK-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)CCC[N@H+]1CCC[NH2+]CC1 62097596 409402621 /nfs/dbraw/zinc/40/26/21/409402621.db2.gz MUYXLMNLANQCKS-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CC(C)CCC[N@@H+]1CC[C@H]([NH3+])C1 62097913 409402646 /nfs/dbraw/zinc/40/26/46/409402646.db2.gz SJDZFBVJHKERKJ-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP CC(C)CCC[N@H+]1CC[C@H]([NH3+])C1 62097913 409402647 /nfs/dbraw/zinc/40/26/47/409402647.db2.gz SJDZFBVJHKERKJ-JTQLQIEISA-N 2 1 170.300 1.456 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CCCC(C)C)C1 62098085 409402651 /nfs/dbraw/zinc/40/26/51/409402651.db2.gz XPOYZBLHOWVCNE-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)CCC[N@H+]1CC[C@@H](C[NH3+])C1 62098071 409402682 /nfs/dbraw/zinc/40/26/82/409402682.db2.gz OPKLLBGCBHWIDK-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CCCC(C)C)C1 62098086 409402702 /nfs/dbraw/zinc/40/27/02/409402702.db2.gz XPOYZBLHOWVCNE-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)[NH2+]CC[N@@H+]1CCCC1(C)C 63066974 409404641 /nfs/dbraw/zinc/40/46/41/409404641.db2.gz CRSJKJBNMWDQMN-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC(C)[NH2+]CC[N@H+]1CCCC1(C)C 63066974 409404645 /nfs/dbraw/zinc/40/46/45/409404645.db2.gz CRSJKJBNMWDQMN-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC1(C)CCC[N@@H+]1CC[NH2+]CC1CC1 63073487 409404755 /nfs/dbraw/zinc/40/47/55/409404755.db2.gz VNAHREZTJFLXHQ-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC1(C)CCC[N@H+]1CC[NH2+]CC1CC1 63073487 409404762 /nfs/dbraw/zinc/40/47/62/409404762.db2.gz VNAHREZTJFLXHQ-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@@H+](CC1CC1)C[C@H]1CCC[NH2+]C1 68947135 409408272 /nfs/dbraw/zinc/40/82/72/409408272.db2.gz QCNBQIRBJBCYQP-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CCCC[N@H+]1CCC[C@H](CC[NH3+])C1 69626404 409408436 /nfs/dbraw/zinc/40/84/36/409408436.db2.gz CUZXWSIFWSNYJW-LLVKDONJSA-N 2 1 184.327 1.847 20 0 ADADMP CC[N@H+](CC1CC[NH2+]CC1)CC1CC1 68947142 409408445 /nfs/dbraw/zinc/40/84/45/409408445.db2.gz UUHSCAOJXSLSBV-UHFFFAOYSA-N 2 1 196.338 1.718 20 0 ADADMP CC[N@@H+](CC1CC1)C[C@H]1CC[NH2+]C1 69630382 409408513 /nfs/dbraw/zinc/40/85/13/409408513.db2.gz CJVCPXMRYPEGPB-NSHDSACASA-N 2 1 182.311 1.328 20 0 ADADMP Cc1ccsc1[C@@H](C)[NH2+]CC[NH3+] 69636600 409408615 /nfs/dbraw/zinc/40/86/15/409408615.db2.gz XZTRHPHRGVCOBB-MRVPVSSYSA-N 2 1 184.308 1.666 20 0 ADADMP CCCC[C@H](CC)[NH2+]CC[NH3+] 69631083 409408720 /nfs/dbraw/zinc/40/87/20/409408720.db2.gz UBVPOQIZXWOGFE-VIFPVBQESA-N 2 1 158.289 1.504 20 0 ADADMP CCCC[C@@H](CC)[NH2+]CC[NH3+] 69631080 409408774 /nfs/dbraw/zinc/40/87/74/409408774.db2.gz UBVPOQIZXWOGFE-SECBINFHSA-N 2 1 158.289 1.504 20 0 ADADMP CCC[N@H+]1CCC[C@@H](CC[NH3+])C1 69626584 409408921 /nfs/dbraw/zinc/40/89/21/409408921.db2.gz SLCYLCYAGHBDKP-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP CC[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69626353 409408959 /nfs/dbraw/zinc/40/89/59/409408959.db2.gz BOZQSHZHTMTAPL-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CCCC[N@H+]1CCC[C@@H](CC[NH3+])C1 69626406 409408975 /nfs/dbraw/zinc/40/89/75/409408975.db2.gz CUZXWSIFWSNYJW-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP Cc1ccsc1[C@H](C)[NH2+]CC[NH3+] 69636601 409409442 /nfs/dbraw/zinc/40/94/42/409409442.db2.gz XZTRHPHRGVCOBB-QMMMGPOBSA-N 2 1 184.308 1.666 20 0 ADADMP CC[N@@H+](CC1CC1)C[C@@H]1CC[NH2+]C1 69630379 409409539 /nfs/dbraw/zinc/40/95/39/409409539.db2.gz CJVCPXMRYPEGPB-LLVKDONJSA-N 2 1 182.311 1.328 20 0 ADADMP CC[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 69626354 409410076 /nfs/dbraw/zinc/41/00/76/409410076.db2.gz BOZQSHZHTMTAPL-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@@H+](CC1CC1)C[C@@H]1CCC[NH2+]C1 68947133 409410159 /nfs/dbraw/zinc/41/01/59/409410159.db2.gz QCNBQIRBJBCYQP-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP CCC[N@H+]1CCC[C@H](CC[NH3+])C1 69626581 409410233 /nfs/dbraw/zinc/41/02/33/409410233.db2.gz SLCYLCYAGHBDKP-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP C[NH2+]CCC[N@@H+]1CCSC[C@@H]1C 69761417 409412721 /nfs/dbraw/zinc/41/27/21/409412721.db2.gz FJQOEDBQPQQFEX-VIFPVBQESA-N 2 1 188.340 1.033 20 0 ADADMP C[NH2+]CCC[N@H+]1CCSC[C@@H]1C 69761417 409412725 /nfs/dbraw/zinc/41/27/25/409412725.db2.gz FJQOEDBQPQQFEX-VIFPVBQESA-N 2 1 188.340 1.033 20 0 ADADMP C[NH2+]CCC[N@@H+]1CCSC[C@H]1C 69761416 409412807 /nfs/dbraw/zinc/41/28/07/409412807.db2.gz FJQOEDBQPQQFEX-SECBINFHSA-N 2 1 188.340 1.033 20 0 ADADMP C[NH2+]CCC[N@H+]1CCSC[C@H]1C 69761416 409412812 /nfs/dbraw/zinc/41/28/12/409412812.db2.gz FJQOEDBQPQQFEX-SECBINFHSA-N 2 1 188.340 1.033 20 0 ADADMP CCC[NH2+][C@@H](C)c1c[nH+]ccc1N 69845275 409414555 /nfs/dbraw/zinc/41/45/55/409414555.db2.gz HYBQIUAERUSHPW-QMMMGPOBSA-N 2 1 179.267 1.724 20 0 ADADMP C[NH2+]CCC[N@H+]1CCCC(C)(C)C1 69793269 409414680 /nfs/dbraw/zinc/41/46/80/409414680.db2.gz FFMKOSNLOVZHAM-UHFFFAOYSA-N 2 1 184.327 1.718 20 0 ADADMP CCC[NH2+][C@H](C)c1c[nH+]ccc1N 69845277 409414761 /nfs/dbraw/zinc/41/47/61/409414761.db2.gz HYBQIUAERUSHPW-MRVPVSSYSA-N 2 1 179.267 1.724 20 0 ADADMP CCCc1[nH+]ccn1C[C@@H]1CC[NH2+]C1 69964148 409416023 /nfs/dbraw/zinc/41/60/23/409416023.db2.gz YJRVLPCIUAMICF-SNVBAGLBSA-N 2 1 193.294 1.445 20 0 ADADMP CCCc1[nH+]ccn1C[C@H]1CC[NH2+]C1 69964151 409416357 /nfs/dbraw/zinc/41/63/57/409416357.db2.gz YJRVLPCIUAMICF-JTQLQIEISA-N 2 1 193.294 1.445 20 0 ADADMP CC(C)CCC[N@@H+]1CCC[C@H]([NH3+])C1 70585802 409427661 /nfs/dbraw/zinc/42/76/61/409427661.db2.gz TZQPIKXPPILNLH-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CCC[N@H+]1CCC[C@H]([NH3+])C1 70585802 409427670 /nfs/dbraw/zinc/42/76/70/409427670.db2.gz TZQPIKXPPILNLH-NSHDSACASA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)C[N@H+]1CCC[C@@H](CC[NH3+])C1 70533443 409428002 /nfs/dbraw/zinc/42/80/02/409428002.db2.gz ZWGZJBALOFODKL-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP CCCc1[nH+]ccn1C[C@H](C)[NH3+] 70535656 409428274 /nfs/dbraw/zinc/42/82/74/409428274.db2.gz RSAWZVLZNKRVMJ-QMMMGPOBSA-N 2 1 167.256 1.183 20 0 ADADMP CC(C)C[N@H+]1CCC[C@H](CC[NH3+])C1 70533442 409428291 /nfs/dbraw/zinc/42/82/91/409428291.db2.gz ZWGZJBALOFODKL-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP CCCc1[nH+]ccn1C[C@@H](C)[NH3+] 70535655 409428722 /nfs/dbraw/zinc/42/87/22/409428722.db2.gz RSAWZVLZNKRVMJ-MRVPVSSYSA-N 2 1 167.256 1.183 20 0 ADADMP CC(C)CCC[N@@H+]1CCC[C@@H]([NH3+])C1 70585803 409428740 /nfs/dbraw/zinc/42/87/40/409428740.db2.gz TZQPIKXPPILNLH-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)CCC[N@H+]1CCC[C@@H]([NH3+])C1 70585803 409428747 /nfs/dbraw/zinc/42/87/47/409428747.db2.gz TZQPIKXPPILNLH-LLVKDONJSA-N 2 1 184.327 1.846 20 0 ADADMP C1CC([N@@H+](CC2CC2)C2CC2)CC[NH2+]1 70635802 409433640 /nfs/dbraw/zinc/43/36/40/409433640.db2.gz OZLNGVBPFQYDAV-UHFFFAOYSA-N 2 1 194.322 1.613 20 0 ADADMP CC1(C)CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1 70621669 409433787 /nfs/dbraw/zinc/43/37/87/409433787.db2.gz JSFWPFRDRIYIOI-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP CC1(C)CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 70621668 409434082 /nfs/dbraw/zinc/43/40/82/409434082.db2.gz JSFWPFRDRIYIOI-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CCCC[C@H]1[NH2+]CC[NH3+] 70650686 409435216 /nfs/dbraw/zinc/43/52/16/409435216.db2.gz LAPHALOUIIUTTC-VHSXEESVSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 70650684 409435246 /nfs/dbraw/zinc/43/52/46/409435246.db2.gz LAPHALOUIIUTTC-UWVGGRQHSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 70650683 409435256 /nfs/dbraw/zinc/43/52/56/409435256.db2.gz LAPHALOUIIUTTC-ZJUUUORDSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH3+] 70650685 409435383 /nfs/dbraw/zinc/43/53/83/409435383.db2.gz LAPHALOUIIUTTC-NXEZZACHSA-N 2 1 170.300 1.504 20 0 ADADMP Cn1cncc1CC[N@@H+]1CC=CCC1 656494734 409437622 /nfs/dbraw/zinc/43/76/22/409437622.db2.gz JSNUYNCJMIWMIK-UHFFFAOYSA-N 2 1 191.278 1.225 20 0 ADADMP CC(C)(C)[NH2+]CC[NH2+][C@]12CCC[C@H]1C2 656787848 409450161 /nfs/dbraw/zinc/45/01/61/409450161.db2.gz XICJWQJXZQKAMC-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP CC(C)([NH3+])C[NH2+]Cc1cccc(N)c1 656787683 409450462 /nfs/dbraw/zinc/45/04/62/409450462.db2.gz RDYAEYDSOKNZMP-UHFFFAOYSA-N 2 1 193.294 1.096 20 0 ADADMP CC(C)(C)[NH2+]CC[NH2+][C@@]12CCC[C@@H]1C2 656787850 409450676 /nfs/dbraw/zinc/45/06/76/409450676.db2.gz XICJWQJXZQKAMC-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CC[N@@H+](CCC[NH2+]C)C1 108289223 409458273 /nfs/dbraw/zinc/45/82/73/409458273.db2.gz UXLONOGEINRJKH-SNVBAGLBSA-N 2 1 170.300 1.328 20 0 ADADMP CC(C)[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 107223858 409458488 /nfs/dbraw/zinc/45/84/88/409458488.db2.gz IUTWKWRTLRWYRA-VHSXEESVSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 107223858 409458493 /nfs/dbraw/zinc/45/84/93/409458493.db2.gz IUTWKWRTLRWYRA-VHSXEESVSA-N 2 1 168.284 1.079 20 0 ADADMP C[N@H+]1CCC[C@H](CC[NH2+]CC2CC2)C1 657182849 409458500 /nfs/dbraw/zinc/45/85/00/409458500.db2.gz PSMXDZNFHALDGW-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP CC(C)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 657182806 409458513 /nfs/dbraw/zinc/45/85/13/409458513.db2.gz XPNUWRHEGZLJMV-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC2CC2)C1 657182850 409459019 /nfs/dbraw/zinc/45/90/19/409459019.db2.gz PSMXDZNFHALDGW-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@H]1CC[N@@H+](CCC[NH2+]C)C1 108289226 409459522 /nfs/dbraw/zinc/45/95/22/409459522.db2.gz UXLONOGEINRJKH-JTQLQIEISA-N 2 1 170.300 1.328 20 0 ADADMP CC(C)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 107223860 409459283 /nfs/dbraw/zinc/45/92/83/409459283.db2.gz IUTWKWRTLRWYRA-NXEZZACHSA-N 2 1 168.284 1.079 20 0 ADADMP CC(C)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 107223860 409459288 /nfs/dbraw/zinc/45/92/88/409459288.db2.gz IUTWKWRTLRWYRA-NXEZZACHSA-N 2 1 168.284 1.079 20 0 ADADMP CC[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108307461 409459429 /nfs/dbraw/zinc/45/94/29/409459429.db2.gz KUJTWUCWKHGGHR-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 108307459 409459461 /nfs/dbraw/zinc/45/94/61/409459461.db2.gz KUJTWUCWKHGGHR-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 108295243 409459600 /nfs/dbraw/zinc/45/96/00/409459600.db2.gz IIDIKTKXCNJZEK-GHMZBOCLSA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 657182807 409459786 /nfs/dbraw/zinc/45/97/86/409459786.db2.gz XPNUWRHEGZLJMV-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 108295247 409460289 /nfs/dbraw/zinc/46/02/89/409460289.db2.gz IIDIKTKXCNJZEK-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP CC(C)CC[N@@H+](C[C@@H](C)[NH3+])C1CC1 109274023 409460873 /nfs/dbraw/zinc/46/08/73/409460873.db2.gz HXABQZCNUNUXIK-SNVBAGLBSA-N 2 1 184.327 1.844 20 0 ADADMP CC(C)CC[N@@H+](C[C@H](C)[NH3+])C1CC1 109274027 409461045 /nfs/dbraw/zinc/46/10/45/409461045.db2.gz HXABQZCNUNUXIK-JTQLQIEISA-N 2 1 184.327 1.844 20 0 ADADMP CC[C@H](Cc1ccccc1)[NH2+]CC[NH3+] 116385719 409465099 /nfs/dbraw/zinc/46/50/99/409465099.db2.gz KPWDINHXMJBMAO-GFCCVEGCSA-N 2 1 192.306 1.556 20 0 ADADMP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH3+] 116385717 409465167 /nfs/dbraw/zinc/46/51/67/409465167.db2.gz KPWDINHXMJBMAO-LBPRGKRZSA-N 2 1 192.306 1.556 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@H](C)C[C@@H]1C 123847308 409466896 /nfs/dbraw/zinc/46/68/96/409466896.db2.gz WAUZQUINJPDBDU-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C 123650706 409467035 /nfs/dbraw/zinc/46/70/35/409467035.db2.gz YIMFWYXZAUKDKY-SECBINFHSA-N 2 1 158.289 1.312 20 0 ADADMP C[C@H](CC1CCC1)[NH2+]CC[NH3+] 123366259 409467098 /nfs/dbraw/zinc/46/70/98/409467098.db2.gz BGROLVNRRNPPRM-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@@H](CC1CCC1)[NH2+]CC[NH3+] 123366039 409467117 /nfs/dbraw/zinc/46/71/17/409467117.db2.gz BGROLVNRRNPPRM-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H]1C 123847731 409467231 /nfs/dbraw/zinc/46/72/31/409467231.db2.gz WAUZQUINJPDBDU-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@@H](C)C[C@@H]1C 123847513 409467414 /nfs/dbraw/zinc/46/74/14/409467414.db2.gz WAUZQUINJPDBDU-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]CCC[N@@H+]1CCS[C@H](C)C1 123639992 409468077 /nfs/dbraw/zinc/46/80/77/409468077.db2.gz PEEGEERINAXCRG-SECBINFHSA-N 2 1 188.340 1.033 20 0 ADADMP C[NH2+]CCC[N@H+]1CCS[C@H](C)C1 123639992 409468084 /nfs/dbraw/zinc/46/80/84/409468084.db2.gz PEEGEERINAXCRG-SECBINFHSA-N 2 1 188.340 1.033 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@@H](C)C[C@H]1C 123847952 409468312 /nfs/dbraw/zinc/46/83/12/409468312.db2.gz WAUZQUINJPDBDU-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP CC[N@@H+](C)CC[C@H]([NH3+])C(C)C 123650420 409468514 /nfs/dbraw/zinc/46/85/14/409468514.db2.gz YIMFWYXZAUKDKY-VIFPVBQESA-N 2 1 158.289 1.312 20 0 ADADMP CC1CC([NH2+]CC[NH2+]C2CC2)C1 123588902 409468564 /nfs/dbraw/zinc/46/85/64/409468564.db2.gz FBLGCTMTRCPVSL-UHFFFAOYSA-N 2 1 168.284 1.127 20 0 ADADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[NH3+] 125691159 409472856 /nfs/dbraw/zinc/47/28/56/409472856.db2.gz PHZRZADQMWQAHP-WDEREUQCSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 125690902 409472940 /nfs/dbraw/zinc/47/29/40/409472940.db2.gz PHZRZADQMWQAHP-MNOVXSKESA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH3+] 125690660 409473215 /nfs/dbraw/zinc/47/32/15/409473215.db2.gz PHZRZADQMWQAHP-QWRGUYRKSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[NH3+] 125691314 409474022 /nfs/dbraw/zinc/47/40/22/409474022.db2.gz PHZRZADQMWQAHP-GHMZBOCLSA-N 2 1 184.327 1.750 20 0 ADADMP C[N@H+](CCCF)[C@@H](C[NH3+])C1CC1 126742001 409474830 /nfs/dbraw/zinc/47/48/30/409474830.db2.gz PWTGZBUVOZAUQE-VIFPVBQESA-N 2 1 174.263 1.015 20 0 ADADMP C[N@@H+](CCCF)[C@@H](C[NH3+])C1CC1 126742001 409474833 /nfs/dbraw/zinc/47/48/33/409474833.db2.gz PWTGZBUVOZAUQE-VIFPVBQESA-N 2 1 174.263 1.015 20 0 ADADMP C[N@H+](CCCF)[C@H](C[NH3+])C1CC1 126742246 409475254 /nfs/dbraw/zinc/47/52/54/409475254.db2.gz PWTGZBUVOZAUQE-SECBINFHSA-N 2 1 174.263 1.015 20 0 ADADMP C[N@@H+](CCCF)[C@H](C[NH3+])C1CC1 126742246 409475258 /nfs/dbraw/zinc/47/52/58/409475258.db2.gz PWTGZBUVOZAUQE-SECBINFHSA-N 2 1 174.263 1.015 20 0 ADADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCC1 127550185 409477157 /nfs/dbraw/zinc/47/71/57/409477157.db2.gz HRPNZCIETFNNLL-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCF 126995141 409477178 /nfs/dbraw/zinc/47/71/78/409477178.db2.gz JBGUNLCOEJIMAI-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCCF 126995366 409477813 /nfs/dbraw/zinc/47/78/13/409477813.db2.gz JBGUNLCOEJIMAI-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCF 126994901 409477902 /nfs/dbraw/zinc/47/79/02/409477902.db2.gz JBGUNLCOEJIMAI-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP C[NH2+]CCCn1c[nH+]c2c1CCCC2 126918383 409478324 /nfs/dbraw/zinc/47/83/24/409478324.db2.gz GGDCQZAZBOOMLH-UHFFFAOYSA-N 2 1 193.294 1.371 20 0 ADADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCC1 127508767 409478424 /nfs/dbraw/zinc/47/84/24/409478424.db2.gz UQRGKPABPBZPPS-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]2[C@@H]([NH3+])CCC[C@H]2C1 127613180 409478512 /nfs/dbraw/zinc/47/85/12/409478512.db2.gz BNUINHMEBAANPF-TUAOUCFPSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCCF 126995553 409478704 /nfs/dbraw/zinc/47/87/04/409478704.db2.gz JBGUNLCOEJIMAI-IUCAKERBSA-N 2 1 174.263 1.015 20 0 ADADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCC1 127508535 409478832 /nfs/dbraw/zinc/47/88/32/409478832.db2.gz UQRGKPABPBZPPS-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP CC1(C)CC[C@H]([NH2+]CC[NH2+]C2CC2)C1 129525611 409479556 /nfs/dbraw/zinc/47/95/56/409479556.db2.gz VJECIRZVIRBEIU-NSHDSACASA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)CC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 129525838 409479646 /nfs/dbraw/zinc/47/96/46/409479646.db2.gz VJECIRZVIRBEIU-LLVKDONJSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)C1 129383788 409479875 /nfs/dbraw/zinc/47/98/75/409479875.db2.gz LFMGVSRBIMSGEE-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)(C)CC[NH2+][C@H]1CC[NH2+]C1 129983069 409480313 /nfs/dbraw/zinc/48/03/13/409480313.db2.gz NOPHOAACLBRCSJ-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 129384404 409481475 /nfs/dbraw/zinc/48/14/75/409481475.db2.gz LFMGVSRBIMSGEE-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1 129982883 409481493 /nfs/dbraw/zinc/48/14/93/409481493.db2.gz NOPHOAACLBRCSJ-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP C[C@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)C1 129383958 409481611 /nfs/dbraw/zinc/48/16/11/409481611.db2.gz LFMGVSRBIMSGEE-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)C1 129384172 409481663 /nfs/dbraw/zinc/48/16/63/409481663.db2.gz LFMGVSRBIMSGEE-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C1C[C@@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@@H]2C1 130905667 409482698 /nfs/dbraw/zinc/48/26/98/409482698.db2.gz UYBOYYRSNPCLMU-UTUOFQBUSA-N 2 1 194.322 1.328 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC1CC1 131229133 409487274 /nfs/dbraw/zinc/48/72/74/409487274.db2.gz NRIRQQYBXUIGDG-LLVKDONJSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC1CC1 131229314 409487546 /nfs/dbraw/zinc/48/75/46/409487546.db2.gz NRIRQQYBXUIGDG-NSHDSACASA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C(C)C 133301456 409493332 /nfs/dbraw/zinc/49/33/32/409493332.db2.gz YEDVBTIPQCAQJI-JTQLQIEISA-N 2 1 172.316 1.700 20 0 ADADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)C(C)C 133301262 409494812 /nfs/dbraw/zinc/49/48/12/409494812.db2.gz YEDVBTIPQCAQJI-SNVBAGLBSA-N 2 1 172.316 1.700 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@H]([NH3+])C(C)C 133302973 409496188 /nfs/dbraw/zinc/49/61/88/409496188.db2.gz AFJGVHOQWHYDEP-NSHDSACASA-N 2 1 186.343 1.948 20 0 ADADMP CC(C)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C 133303180 409496209 /nfs/dbraw/zinc/49/62/09/409496209.db2.gz AFJGVHOQWHYDEP-LLVKDONJSA-N 2 1 186.343 1.948 20 0 ADADMP C1CC(CC[N@H+]2CCCNCC2)C1 133954362 409498145 /nfs/dbraw/zinc/49/81/45/409498145.db2.gz SRMDKDCZLGOWPY-UHFFFAOYSA-N 2 1 182.311 1.472 20 0 ADADMP C[NH+]1CCC([NH2+][C@]2(C)CC2(C)C)CC1 658307530 409513353 /nfs/dbraw/zinc/51/33/53/409513353.db2.gz KSCJTIGZSDAGCF-GFCCVEGCSA-N 2 1 196.338 1.859 20 0 ADADMP C[NH+]1CCC([NH2+][C@@]2(C)CC2(C)C)CC1 658307531 409513858 /nfs/dbraw/zinc/51/38/58/409513858.db2.gz KSCJTIGZSDAGCF-LBPRGKRZSA-N 2 1 196.338 1.859 20 0 ADADMP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 218450504 409513979 /nfs/dbraw/zinc/51/39/79/409513979.db2.gz SHTDCVCNLFZKAP-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 218450504 409513985 /nfs/dbraw/zinc/51/39/85/409513985.db2.gz SHTDCVCNLFZKAP-SDDRHHMPSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 218450361 409514053 /nfs/dbraw/zinc/51/40/53/409514053.db2.gz SHTDCVCNLFZKAP-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 218450361 409514058 /nfs/dbraw/zinc/51/40/58/409514058.db2.gz SHTDCVCNLFZKAP-QJPTWQEYSA-N 2 1 196.338 1.846 20 0 ADADMP C[N@@H+](C[C@@H]1CC[NH2+]C1)C(C)(C)C 218810388 409514110 /nfs/dbraw/zinc/51/41/10/409514110.db2.gz LNTPWUVBDQPWKB-SECBINFHSA-N 2 1 170.300 1.326 20 0 ADADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 218450292 409514192 /nfs/dbraw/zinc/51/41/92/409514192.db2.gz SHTDCVCNLFZKAP-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H]([NH3+])C1 218450292 409514196 /nfs/dbraw/zinc/51/41/96/409514196.db2.gz SHTDCVCNLFZKAP-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@H]([NH3+])C1 218450431 409514567 /nfs/dbraw/zinc/51/45/67/409514567.db2.gz SHTDCVCNLFZKAP-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H]([NH3+])C1 218450431 409514573 /nfs/dbraw/zinc/51/45/73/409514573.db2.gz SHTDCVCNLFZKAP-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP C[N@@H+](C[C@H]1CC[NH2+]C1)C(C)(C)C 218810459 409514607 /nfs/dbraw/zinc/51/46/07/409514607.db2.gz LNTPWUVBDQPWKB-VIFPVBQESA-N 2 1 170.300 1.326 20 0 ADADMP C[C@@H]1C[N@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]1C 219846034 409516370 /nfs/dbraw/zinc/51/63/70/409516370.db2.gz OUGJKLSBDYENJK-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219758524 409517701 /nfs/dbraw/zinc/51/77/01/409517701.db2.gz JGIMCMSKAMGJOV-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219758598 409518024 /nfs/dbraw/zinc/51/80/24/409518024.db2.gz JGIMCMSKAMGJOV-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)(C)CCC[N@@H+]1CC[C@@H]([NH3+])C1 300860426 409536849 /nfs/dbraw/zinc/53/68/49/409536849.db2.gz LZQYSYODXSTKNL-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC1 242437471 409526006 /nfs/dbraw/zinc/52/60/06/409526006.db2.gz CBIAWVRUMWBSMT-PSASIEDQSA-N 2 1 168.284 1.079 20 0 ADADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC1 242437471 409526014 /nfs/dbraw/zinc/52/60/14/409526014.db2.gz CBIAWVRUMWBSMT-PSASIEDQSA-N 2 1 168.284 1.079 20 0 ADADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CC1 242437472 409526140 /nfs/dbraw/zinc/52/61/40/409526140.db2.gz CBIAWVRUMWBSMT-WCBMZHEXSA-N 2 1 168.284 1.079 20 0 ADADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CC1 242437472 409526150 /nfs/dbraw/zinc/52/61/50/409526150.db2.gz CBIAWVRUMWBSMT-WCBMZHEXSA-N 2 1 168.284 1.079 20 0 ADADMP CCC(CC)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050342 409531869 /nfs/dbraw/zinc/53/18/69/409531869.db2.gz ZACLFJIWNVQKNF-MWLCHTKSSA-N 2 1 184.327 1.702 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300050047 409532983 /nfs/dbraw/zinc/53/29/83/409532983.db2.gz WSOWNBVEOUOQEK-IVZWLZJFSA-N 2 1 170.300 1.312 20 0 ADADMP CC(C)(C)CCC[N@@H+]1CC[C@H]([NH3+])C1 300860424 409535488 /nfs/dbraw/zinc/53/54/88/409535488.db2.gz LZQYSYODXSTKNL-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)(C)CCC[N@H+]1CC[C@H]([NH3+])C1 300860424 409535494 /nfs/dbraw/zinc/53/54/94/409535494.db2.gz LZQYSYODXSTKNL-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]([NH3+])[C@H](C)C1 300853661 409536273 /nfs/dbraw/zinc/53/62/73/409536273.db2.gz FPUCCFNEFAUXCR-QJPTWQEYSA-N 2 1 198.354 1.948 20 0 ADADMP CC(C)(C)CCC[N@H+]1CC[C@@H]([NH3+])C1 300860426 409536855 /nfs/dbraw/zinc/53/68/55/409536855.db2.gz LZQYSYODXSTKNL-SNVBAGLBSA-N 2 1 184.327 1.846 20 0 ADADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 300875541 409537103 /nfs/dbraw/zinc/53/71/03/409537103.db2.gz ICWICMDUPAHYOU-RYUDHWBXSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 300875544 409537202 /nfs/dbraw/zinc/53/72/02/409537202.db2.gz ICWICMDUPAHYOU-VXGBXAGGSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)C[C@H](C)C[N@@H+](C)CCC[NH3+] 300860788 409537485 /nfs/dbraw/zinc/53/74/85/409537485.db2.gz GJQVGOLREYISGO-NSHDSACASA-N 2 1 186.343 1.949 20 0 ADADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](C[NH3+])C1 300875534 409537784 /nfs/dbraw/zinc/53/77/84/409537784.db2.gz ICWICMDUPAHYOU-NEPJUHHUSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H](C[NH3+])C1 300875538 409537938 /nfs/dbraw/zinc/53/79/38/409537938.db2.gz ICWICMDUPAHYOU-NWDGAFQWSA-N 2 1 198.354 1.949 20 0 ADADMP CC(C)C[C@@H](C)C[N@@H+](C)CCC[NH3+] 300860786 409538042 /nfs/dbraw/zinc/53/80/42/409538042.db2.gz GJQVGOLREYISGO-LLVKDONJSA-N 2 1 186.343 1.949 20 0 ADADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 300960043 409540524 /nfs/dbraw/zinc/54/05/24/409540524.db2.gz QVHQVJAQUOXRQQ-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 300960043 409540528 /nfs/dbraw/zinc/54/05/28/409540528.db2.gz QVHQVJAQUOXRQQ-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 300988083 409540817 /nfs/dbraw/zinc/54/08/17/409540817.db2.gz VDMNUMVNHDNROH-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 300988083 409540821 /nfs/dbraw/zinc/54/08/21/409540821.db2.gz VDMNUMVNHDNROH-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 300960041 409540991 /nfs/dbraw/zinc/54/09/91/409540991.db2.gz QVHQVJAQUOXRQQ-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]([NH3+])C1 300960041 409540996 /nfs/dbraw/zinc/54/09/96/409540996.db2.gz QVHQVJAQUOXRQQ-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 300988088 409541133 /nfs/dbraw/zinc/54/11/33/409541133.db2.gz VDMNUMVNHDNROH-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 300988088 409541141 /nfs/dbraw/zinc/54/11/41/409541141.db2.gz VDMNUMVNHDNROH-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]([NH3+])C1 300960040 409541162 /nfs/dbraw/zinc/54/11/62/409541162.db2.gz QVHQVJAQUOXRQQ-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H]([NH3+])C1 300960040 409541167 /nfs/dbraw/zinc/54/11/67/409541167.db2.gz QVHQVJAQUOXRQQ-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 300988085 409541449 /nfs/dbraw/zinc/54/14/49/409541449.db2.gz VDMNUMVNHDNROH-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 300988085 409541455 /nfs/dbraw/zinc/54/14/55/409541455.db2.gz VDMNUMVNHDNROH-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]([NH3+])C1 300960042 409541706 /nfs/dbraw/zinc/54/17/06/409541706.db2.gz QVHQVJAQUOXRQQ-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@H](C)C[N@H+]1CC[C@H]([NH3+])C1 300960042 409541712 /nfs/dbraw/zinc/54/17/12/409541712.db2.gz QVHQVJAQUOXRQQ-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 300988086 409541808 /nfs/dbraw/zinc/54/18/08/409541808.db2.gz VDMNUMVNHDNROH-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 300988086 409541811 /nfs/dbraw/zinc/54/18/11/409541811.db2.gz VDMNUMVNHDNROH-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP C[N@@H+](CC1(C)CC1)C1CC[NH2+]CC1 306190446 409546877 /nfs/dbraw/zinc/54/68/77/409546877.db2.gz WNPPYCPXPJYRJP-UHFFFAOYSA-N 2 1 182.311 1.470 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1 659850734 409553978 /nfs/dbraw/zinc/55/39/78/409553978.db2.gz VCDBARBTWDFWKL-TXEJJXNPSA-N 2 1 194.322 1.494 20 0 ADADMP C1=CCC(C[N@H+]2C[C@@H]3C[NH2+]C[C@@H]3C2)C1 659849325 409555422 /nfs/dbraw/zinc/55/54/22/409555422.db2.gz HAKOKBBEEVJLGY-TXEJJXNPSA-N 2 1 192.306 1.104 20 0 ADADMP CC(C)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306348499 409561487 /nfs/dbraw/zinc/56/14/87/409561487.db2.gz SOFVIPNLJHRJAO-RYUDHWBXSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@H]1C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532858 409575149 /nfs/dbraw/zinc/57/51/49/409575149.db2.gz GVCRWYDARLVWJY-YFKTTZPYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532858 409575154 /nfs/dbraw/zinc/57/51/54/409575154.db2.gz GVCRWYDARLVWJY-YFKTTZPYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532586 409575199 /nfs/dbraw/zinc/57/51/99/409575199.db2.gz GVCRWYDARLVWJY-KKOKHZNYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532586 409575209 /nfs/dbraw/zinc/57/52/09/409575209.db2.gz GVCRWYDARLVWJY-KKOKHZNYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@H]1C[C@@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532857 409575274 /nfs/dbraw/zinc/57/52/74/409575274.db2.gz GVCRWYDARLVWJY-QCNOEVLYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532857 409575279 /nfs/dbraw/zinc/57/52/79/409575279.db2.gz GVCRWYDARLVWJY-QCNOEVLYSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@@H]1C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532587 409575291 /nfs/dbraw/zinc/57/52/91/409575291.db2.gz GVCRWYDARLVWJY-KXNHARMFSA-N 2 1 194.322 1.469 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 306532587 409575299 /nfs/dbraw/zinc/57/52/99/409575299.db2.gz GVCRWYDARLVWJY-KXNHARMFSA-N 2 1 194.322 1.469 20 0 ADADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](C)N 306687174 409583001 /nfs/dbraw/zinc/58/30/01/409583001.db2.gz LDAJXZMQDQYSIW-OPRDCNLKSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](C)N 306687172 409583485 /nfs/dbraw/zinc/58/34/85/409583485.db2.gz LDAJXZMQDQYSIW-KXUCPTDWSA-N 2 1 170.300 1.454 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1C[C@H]1CCC[NH2+]C1 306695013 409583804 /nfs/dbraw/zinc/58/38/04/409583804.db2.gz VNGMODWYEXXUOC-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H](C)N 306687171 409583886 /nfs/dbraw/zinc/58/38/86/409583886.db2.gz LDAJXZMQDQYSIW-IVZWLZJFSA-N 2 1 170.300 1.454 20 0 ADADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H](C)N 306687173 409584114 /nfs/dbraw/zinc/58/41/14/409584114.db2.gz LDAJXZMQDQYSIW-LPEHRKFASA-N 2 1 170.300 1.454 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H]1C 306695012 409584344 /nfs/dbraw/zinc/58/43/44/409584344.db2.gz VNGMODWYEXXUOC-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC[NH3+])[C@@H]1C 306738135 409588106 /nfs/dbraw/zinc/58/81/06/409588106.db2.gz IIDBZXYLTYHQQX-RKDXNWHRSA-N 2 1 156.273 1.066 20 0 ADADMP CC[C@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1[NH3+] 306769213 409590514 /nfs/dbraw/zinc/59/05/14/409590514.db2.gz ADFJTVNOAKQHPM-QWRGUYRKSA-N 2 1 196.338 1.846 20 0 ADADMP CC1(C)[C@H]2C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]21 306767770 409590588 /nfs/dbraw/zinc/59/05/88/409590588.db2.gz PGHIFWKRXAIDRM-GARJFASQSA-N 2 1 194.322 1.184 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1[NH3+] 306769206 409590859 /nfs/dbraw/zinc/59/08/59/409590859.db2.gz ADFJTVNOAKQHPM-GHMZBOCLSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@H]1C[N@@H+](CC2(C)CC2)CC[C@@H]1[NH3+] 306769207 409591462 /nfs/dbraw/zinc/59/14/62/409591462.db2.gz ADFJTVNOAKQHPM-MNOVXSKESA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 306782731 409591801 /nfs/dbraw/zinc/59/18/01/409591801.db2.gz FVUHDMHUULPNIX-QWRGUYRKSA-N 2 1 182.311 1.457 20 0 ADADMP CC[C@H]1C[N@@H+](CC2(C)CC2)CC[C@H]1[NH3+] 306769214 409592010 /nfs/dbraw/zinc/59/20/10/409592010.db2.gz ADFJTVNOAKQHPM-WDEREUQCSA-N 2 1 196.338 1.846 20 0 ADADMP CC1(C)[C@H]2C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]21 306767773 409592075 /nfs/dbraw/zinc/59/20/75/409592075.db2.gz PGHIFWKRXAIDRM-MXWKQRLJSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1(C)CC1 306805474 409593216 /nfs/dbraw/zinc/59/32/16/409593216.db2.gz AMVUOBNFJSRMRS-NXEZZACHSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1(C)CC1 306805482 409593435 /nfs/dbraw/zinc/59/34/35/409593435.db2.gz AMVUOBNFJSRMRS-ZJUUUORDSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1(C)CC1 306805477 409594017 /nfs/dbraw/zinc/59/40/17/409594017.db2.gz AMVUOBNFJSRMRS-UWVGGRQHSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1(C)CC1 306805480 409595152 /nfs/dbraw/zinc/59/51/52/409595152.db2.gz AMVUOBNFJSRMRS-VHSXEESVSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]1C[C@@H](C)[C@H](C[NH3+])C[N@@H+]1CC1CC1 306876544 409597212 /nfs/dbraw/zinc/59/72/12/409597212.db2.gz CVPILKQHKFNXRG-JFGNBEQYSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])C[N@@H+]1CC1CC1 306876545 409597268 /nfs/dbraw/zinc/59/72/68/409597268.db2.gz CVPILKQHKFNXRG-SCVCMEIPSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC2)C[C@H]1C[NH3+] 306876542 409597552 /nfs/dbraw/zinc/59/75/52/409597552.db2.gz CVPILKQHKFNXRG-CKYFFXLPSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CC2CC2)C[C@@H]1C[NH3+] 306876543 409598031 /nfs/dbraw/zinc/59/80/31/409598031.db2.gz CVPILKQHKFNXRG-FOGDFJRCSA-N 2 1 196.338 1.702 20 0 ADADMP CC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 307034837 409607832 /nfs/dbraw/zinc/60/78/32/409607832.db2.gz NBAMNRXXRLEAJE-QWRGUYRKSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 307034837 409607841 /nfs/dbraw/zinc/60/78/41/409607841.db2.gz NBAMNRXXRLEAJE-QWRGUYRKSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 307034838 409608240 /nfs/dbraw/zinc/60/82/40/409608240.db2.gz NBAMNRXXRLEAJE-WDEREUQCSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 307034838 409608243 /nfs/dbraw/zinc/60/82/43/409608243.db2.gz NBAMNRXXRLEAJE-WDEREUQCSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@H]1CC[C@@H](C)[N@H+]1C[C@H]1CCC[NH2+]C1 307013848 409608983 /nfs/dbraw/zinc/60/89/83/409608983.db2.gz MGTLIXFJRUPRPM-TUAOUCFPSA-N 2 1 196.338 1.859 20 0 ADADMP CC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 307034835 409609188 /nfs/dbraw/zinc/60/91/88/409609188.db2.gz NBAMNRXXRLEAJE-GHMZBOCLSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)CC1 307034835 409609217 /nfs/dbraw/zinc/60/92/17/409609217.db2.gz NBAMNRXXRLEAJE-GHMZBOCLSA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 307034836 409610253 /nfs/dbraw/zinc/61/02/53/409610253.db2.gz NBAMNRXXRLEAJE-MNOVXSKESA-N 2 1 194.322 1.470 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)CC1 307034836 409610259 /nfs/dbraw/zinc/61/02/59/409610259.db2.gz NBAMNRXXRLEAJE-MNOVXSKESA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCC1(C)C 307060693 409613165 /nfs/dbraw/zinc/61/31/65/409613165.db2.gz JYLOMFXBYHEZAC-AXFHLTTASA-N 2 1 196.338 1.905 20 0 ADADMP CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 660659109 409613354 /nfs/dbraw/zinc/61/33/54/409613354.db2.gz NGIWDEYZVGWIGW-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 660659109 409613359 /nfs/dbraw/zinc/61/33/59/409613359.db2.gz NGIWDEYZVGWIGW-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 660659109 409613363 /nfs/dbraw/zinc/61/33/63/409613363.db2.gz NGIWDEYZVGWIGW-LLVKDONJSA-N 2 1 182.311 1.424 20 0 ADADMP CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 660654805 409613553 /nfs/dbraw/zinc/61/35/53/409613553.db2.gz HEWSHHSMEAOGBG-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 660654805 409613557 /nfs/dbraw/zinc/61/35/57/409613557.db2.gz HEWSHHSMEAOGBG-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 660654805 409613566 /nfs/dbraw/zinc/61/35/66/409613566.db2.gz HEWSHHSMEAOGBG-LBPRGKRZSA-N 2 1 196.338 1.814 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCC1(C)C 307060696 409613621 /nfs/dbraw/zinc/61/36/21/409613621.db2.gz JYLOMFXBYHEZAC-HBNTYKKESA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC1(C)C 307060695 409613937 /nfs/dbraw/zinc/61/39/37/409613937.db2.gz JYLOMFXBYHEZAC-GARJFASQSA-N 2 1 196.338 1.905 20 0 ADADMP CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 660654804 409613951 /nfs/dbraw/zinc/61/39/51/409613951.db2.gz HEWSHHSMEAOGBG-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 660654804 409613953 /nfs/dbraw/zinc/61/39/53/409613953.db2.gz HEWSHHSMEAOGBG-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 660654804 409613957 /nfs/dbraw/zinc/61/39/57/409613957.db2.gz HEWSHHSMEAOGBG-GFCCVEGCSA-N 2 1 196.338 1.814 20 0 ADADMP CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 660659110 409614083 /nfs/dbraw/zinc/61/40/83/409614083.db2.gz NGIWDEYZVGWIGW-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 660659110 409614088 /nfs/dbraw/zinc/61/40/88/409614088.db2.gz NGIWDEYZVGWIGW-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 660659110 409614095 /nfs/dbraw/zinc/61/40/95/409614095.db2.gz NGIWDEYZVGWIGW-NSHDSACASA-N 2 1 182.311 1.424 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCC1(C)C 307060694 409614162 /nfs/dbraw/zinc/61/41/62/409614162.db2.gz JYLOMFXBYHEZAC-DCAQKATOSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C)CC2)C1 307104076 409615956 /nfs/dbraw/zinc/61/59/56/409615956.db2.gz CDPJEQFOLZXNOT-QWRGUYRKSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 307106491 409616100 /nfs/dbraw/zinc/61/61/00/409616100.db2.gz YMNNWNGQOLGVES-WHOHXGKFSA-N 2 1 196.338 1.987 20 0 ADADMP C[C@H]([NH3+])C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 307106482 409616256 /nfs/dbraw/zinc/61/62/56/409616256.db2.gz YMNNWNGQOLGVES-IRCOFANPSA-N 2 1 196.338 1.987 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 307104077 409616486 /nfs/dbraw/zinc/61/64/86/409616486.db2.gz CDPJEQFOLZXNOT-WDEREUQCSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1[C@H]2CCCC[C@@H]2C[C@H]1C 307106485 409616712 /nfs/dbraw/zinc/61/67/12/409616712.db2.gz YMNNWNGQOLGVES-QCNOEVLYSA-N 2 1 196.338 1.987 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2(C)CC2)C1 307104075 409617063 /nfs/dbraw/zinc/61/70/63/409617063.db2.gz CDPJEQFOLZXNOT-MNOVXSKESA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@]1(C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307121668 409617186 /nfs/dbraw/zinc/61/71/86/409617186.db2.gz JUKZGAFEEFPEQL-NEPJUHHUSA-N 2 1 196.338 1.718 20 0 ADADMP CC[C@]1(C)CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1 307121671 409617202 /nfs/dbraw/zinc/61/72/02/409617202.db2.gz JUKZGAFEEFPEQL-VXGBXAGGSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]([NH3+])C[N@@H+]1[C@H]2CCCC[C@H]2C[C@H]1C 307106488 409617637 /nfs/dbraw/zinc/61/76/37/409617637.db2.gz YMNNWNGQOLGVES-USZNOCQGSA-N 2 1 196.338 1.987 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 307104074 409617764 /nfs/dbraw/zinc/61/77/64/409617764.db2.gz CDPJEQFOLZXNOT-GHMZBOCLSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@]1(C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307121669 409617894 /nfs/dbraw/zinc/61/78/94/409617894.db2.gz JUKZGAFEEFPEQL-NWDGAFQWSA-N 2 1 196.338 1.718 20 0 ADADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC1CC1)C2 307096083 409617940 /nfs/dbraw/zinc/61/79/40/409617940.db2.gz PCOYEUCKFMUQOE-RYUDHWBXSA-N 2 1 194.322 1.457 20 0 ADADMP CC[C@@]1(C)CC[N@@H+](C[C@H]2CC[NH2+]C2)C1 307121670 409618048 /nfs/dbraw/zinc/61/80/48/409618048.db2.gz JUKZGAFEEFPEQL-RYUDHWBXSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@H]1[C@H](C)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 307245123 409628609 /nfs/dbraw/zinc/62/86/09/409628609.db2.gz VNGMODWYEXXUOC-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@@H]1[NH3+] 307268451 409629107 /nfs/dbraw/zinc/62/91/07/409629107.db2.gz FVIPHFOOXXRQEU-WYUUTHIRSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2C)CC[C@H]1[NH3+] 307268450 409630803 /nfs/dbraw/zinc/63/08/03/409630803.db2.gz FVIPHFOOXXRQEU-WISYIIOYSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CC[C@@H]1[NH3+] 307268448 409630850 /nfs/dbraw/zinc/63/08/50/409630850.db2.gz FVIPHFOOXXRQEU-USZNOCQGSA-N 2 1 196.338 1.702 20 0 ADADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]1C 307245124 409630950 /nfs/dbraw/zinc/63/09/50/409630950.db2.gz VNGMODWYEXXUOC-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2C)CC[C@H]1[NH3+] 307268449 409631092 /nfs/dbraw/zinc/63/10/92/409631092.db2.gz FVIPHFOOXXRQEU-WHOHXGKFSA-N 2 1 196.338 1.702 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 307287857 409632174 /nfs/dbraw/zinc/63/21/74/409632174.db2.gz VYZXEODQVMLALZ-GHMZBOCLSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 307293948 409632293 /nfs/dbraw/zinc/63/22/93/409632293.db2.gz OXUHKTQHPCAIHL-DCAQKATOSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 307293944 409632366 /nfs/dbraw/zinc/63/23/66/409632366.db2.gz OXUHKTQHPCAIHL-AXFHLTTASA-N 2 1 196.338 1.905 20 0 ADADMP CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 307287860 409632676 /nfs/dbraw/zinc/63/26/76/409632676.db2.gz VYZXEODQVMLALZ-WDEREUQCSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CCCC[NH2+]1 307293956 409632864 /nfs/dbraw/zinc/63/28/64/409632864.db2.gz OXUHKTQHPCAIHL-HBNTYKKESA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 307280537 409632915 /nfs/dbraw/zinc/63/29/15/409632915.db2.gz ZFUIFEABDFIJEJ-IQJOONFLSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CCCC[NH2+]1 307293952 409633071 /nfs/dbraw/zinc/63/30/71/409633071.db2.gz OXUHKTQHPCAIHL-GARJFASQSA-N 2 1 196.338 1.905 20 0 ADADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 307287859 409633243 /nfs/dbraw/zinc/63/32/43/409633243.db2.gz VYZXEODQVMLALZ-QWRGUYRKSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@H]([NH2+][C@@H]1CCC[NH2+][C@H]1C)C1CC1 307280536 409633303 /nfs/dbraw/zinc/63/33/03/409633303.db2.gz ZFUIFEABDFIJEJ-ATZCPNFKSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 307280538 409633383 /nfs/dbraw/zinc/63/33/83/409633383.db2.gz ZFUIFEABDFIJEJ-NGZCFLSTSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@H]([NH2+][C@H]1CCC[NH2+][C@H]1C)C1CC1 307280539 409633397 /nfs/dbraw/zinc/63/33/97/409633397.db2.gz ZFUIFEABDFIJEJ-QXEWZRGKSA-N 2 1 182.311 1.515 20 0 ADADMP CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 307287858 409633548 /nfs/dbraw/zinc/63/35/48/409633548.db2.gz VYZXEODQVMLALZ-MNOVXSKESA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307317168 409634760 /nfs/dbraw/zinc/63/47/60/409634760.db2.gz KGRDTLWQDODZER-IJLUTSLNSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307317169 409634818 /nfs/dbraw/zinc/63/48/18/409634818.db2.gz KGRDTLWQDODZER-UTUOFQBUSA-N 2 1 194.322 1.328 20 0 ADADMP CC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 307330755 409635069 /nfs/dbraw/zinc/63/50/69/409635069.db2.gz YICBYZNASSGWKR-GFCCVEGCSA-N 2 1 194.322 1.472 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2(C)CC2)C1 307317768 409635236 /nfs/dbraw/zinc/63/52/36/409635236.db2.gz PEGPVKLGMDIRKH-ZJUUUORDSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2(C)CC2)C1 307317767 409635288 /nfs/dbraw/zinc/63/52/88/409635288.db2.gz PEGPVKLGMDIRKH-VHSXEESVSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 307317167 409635830 /nfs/dbraw/zinc/63/58/30/409635830.db2.gz KGRDTLWQDODZER-GRYCIOLGSA-N 2 1 194.322 1.328 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2(C)CC2)C1 307317765 409635883 /nfs/dbraw/zinc/63/58/83/409635883.db2.gz PEGPVKLGMDIRKH-NXEZZACHSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 307317170 409635995 /nfs/dbraw/zinc/63/59/95/409635995.db2.gz KGRDTLWQDODZER-WOPDTQHZSA-N 2 1 194.322 1.328 20 0 ADADMP CC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 307330756 409636123 /nfs/dbraw/zinc/63/61/23/409636123.db2.gz YICBYZNASSGWKR-LBPRGKRZSA-N 2 1 194.322 1.472 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2(C)CC2)C1 307317766 409636149 /nfs/dbraw/zinc/63/61/49/409636149.db2.gz PEGPVKLGMDIRKH-UWVGGRQHSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C 307358949 409638061 /nfs/dbraw/zinc/63/80/61/409638061.db2.gz ZWIGGYXGCABFPN-GWOFURMSSA-N 2 1 182.311 1.312 20 0 ADADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 307362083 409637638 /nfs/dbraw/zinc/63/76/38/409637638.db2.gz IGLLEYRLKCKLQG-QJPTWQEYSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@H]1CC[NH2+]C1 307362081 409637865 /nfs/dbraw/zinc/63/78/65/409637865.db2.gz IGLLEYRLKCKLQG-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1C[C@H]1C[C@H]1C 307358951 409638132 /nfs/dbraw/zinc/63/81/32/409638132.db2.gz ZWIGGYXGCABFPN-VPOLOUISSA-N 2 1 182.311 1.312 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 307363126 409638176 /nfs/dbraw/zinc/63/81/76/409638176.db2.gz HFDMQTMUIJNQPH-SRVKXCTJSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 307355982 409638301 /nfs/dbraw/zinc/63/83/01/409638301.db2.gz YUSNTKNVPRDZSI-LPEHRKFASA-N 2 1 182.311 1.515 20 0 ADADMP CC[C@@H]1[C@H](C)CC[N@H+]1C[C@@H]1CC[NH2+]C1 307362082 409638379 /nfs/dbraw/zinc/63/83/79/409638379.db2.gz IGLLEYRLKCKLQG-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@H]1CCC[NH2+]1 307355979 409638578 /nfs/dbraw/zinc/63/85/78/409638578.db2.gz YUSNTKNVPRDZSI-AEJSXWLSSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@H]([NH2+][C@H]1CC1(C)C)[C@@H]1CCC[NH2+]1 307355980 409638710 /nfs/dbraw/zinc/63/87/10/409638710.db2.gz YUSNTKNVPRDZSI-GUBZILKMSA-N 2 1 182.311 1.515 20 0 ADADMP CC[C@@H]1[C@@H](C)CC[N@H+]1C[C@H]1CC[NH2+]C1 307362084 409638856 /nfs/dbraw/zinc/63/88/56/409638856.db2.gz IGLLEYRLKCKLQG-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@H]1C[C@H]1C 307358950 409639011 /nfs/dbraw/zinc/63/90/11/409639011.db2.gz ZWIGGYXGCABFPN-LMLFDSFASA-N 2 1 182.311 1.312 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C 307358948 409639128 /nfs/dbraw/zinc/63/91/28/409639128.db2.gz ZWIGGYXGCABFPN-CHWFTXMASA-N 2 1 182.311 1.312 20 0 ADADMP C[C@H]([NH2+][C@@H]1CC1(C)C)[C@H]1CCC[NH2+]1 307355981 409639209 /nfs/dbraw/zinc/63/92/09/409639209.db2.gz YUSNTKNVPRDZSI-IVZWLZJFSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 307428217 409643691 /nfs/dbraw/zinc/64/36/91/409643691.db2.gz SHSNUHMYALCKGO-GMTAPVOTSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 307428219 409645316 /nfs/dbraw/zinc/64/53/16/409645316.db2.gz SHSNUHMYALCKGO-MXWKQRLJSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@](C)(C[NH3+])C1 307428222 409645662 /nfs/dbraw/zinc/64/56/62/409645662.db2.gz SHSNUHMYALCKGO-OUAUKWLOSA-N 2 1 182.311 1.313 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CC[C@@](C)(C[NH3+])C1 307428231 409646140 /nfs/dbraw/zinc/64/61/40/409646140.db2.gz SHSNUHMYALCKGO-VWYCJHECSA-N 2 1 182.311 1.313 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C 307468792 409647369 /nfs/dbraw/zinc/64/73/69/409647369.db2.gz NITPRJJLCKGMQW-SRVKXCTJSA-N 2 1 198.354 1.948 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 307458271 409648051 /nfs/dbraw/zinc/64/80/51/409648051.db2.gz AFPLDBDUEZQRTB-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 307458280 409648107 /nfs/dbraw/zinc/64/81/07/409648107.db2.gz AFPLDBDUEZQRTB-TUAOUCFPSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C 307468796 409648115 /nfs/dbraw/zinc/64/81/15/409648115.db2.gz NITPRJJLCKGMQW-UTUOFQBUSA-N 2 1 198.354 1.948 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C 307468793 409648397 /nfs/dbraw/zinc/64/83/97/409648397.db2.gz NITPRJJLCKGMQW-TUAOUCFPSA-N 2 1 198.354 1.948 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 307458266 409648452 /nfs/dbraw/zinc/64/84/52/409648452.db2.gz AFPLDBDUEZQRTB-QJPTWQEYSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 307458276 409649315 /nfs/dbraw/zinc/64/93/15/409649315.db2.gz AFPLDBDUEZQRTB-SRVKXCTJSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C 307468975 409649486 /nfs/dbraw/zinc/64/94/86/409649486.db2.gz NITPRJJLCKGMQW-WOPDTQHZSA-N 2 1 198.354 1.948 20 0 ADADMP C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[NH2+]C1 307501309 409651436 /nfs/dbraw/zinc/65/14/36/409651436.db2.gz IHWXHDLTOIJGBA-SDDRHHMPSA-N 2 1 194.322 1.613 20 0 ADADMP C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[NH2+]C1 307501322 409652384 /nfs/dbraw/zinc/65/23/84/409652384.db2.gz IHWXHDLTOIJGBA-UTUOFQBUSA-N 2 1 194.322 1.613 20 0 ADADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 307546884 409653817 /nfs/dbraw/zinc/65/38/17/409653817.db2.gz SGEMUYYJWAKPEU-QJPTWQEYSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 307546882 409653926 /nfs/dbraw/zinc/65/39/26/409653926.db2.gz SGEMUYYJWAKPEU-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1 307546883 409654405 /nfs/dbraw/zinc/65/44/05/409654405.db2.gz SGEMUYYJWAKPEU-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP CC[C@@H]1C[C@H](C)C[N@H+]1C[C@H]1CC[NH2+]C1 307546885 409654510 /nfs/dbraw/zinc/65/45/10/409654510.db2.gz SGEMUYYJWAKPEU-SDDRHHMPSA-N 2 1 196.338 1.716 20 0 ADADMP CC1(C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 307621782 409657768 /nfs/dbraw/zinc/65/77/68/409657768.db2.gz GGTZBWGHOVANMA-LLVKDONJSA-N 2 1 182.311 1.457 20 0 ADADMP CC1(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 307621786 409658778 /nfs/dbraw/zinc/65/87/78/409658778.db2.gz GGTZBWGHOVANMA-NSHDSACASA-N 2 1 182.311 1.457 20 0 ADADMP CC(C)C[C@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 307804938 409671999 /nfs/dbraw/zinc/67/19/99/409671999.db2.gz GARPFQOJEJRDOE-WDEREUQCSA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@H](CC(C)C)C1 307842140 409672608 /nfs/dbraw/zinc/67/26/08/409672608.db2.gz UOAHRKLWZDBTNF-GFCCVEGCSA-N 2 1 198.354 1.964 20 0 ADADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 307804934 409672903 /nfs/dbraw/zinc/67/29/03/409672903.db2.gz GARPFQOJEJRDOE-MNOVXSKESA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])C1 307804931 409673439 /nfs/dbraw/zinc/67/34/39/409673439.db2.gz GARPFQOJEJRDOE-GHMZBOCLSA-N 2 1 184.327 1.702 20 0 ADADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C1 307804935 409674309 /nfs/dbraw/zinc/67/43/09/409674309.db2.gz GARPFQOJEJRDOE-QWRGUYRKSA-N 2 1 184.327 1.702 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](CC(C)C)C1 307842141 409674536 /nfs/dbraw/zinc/67/45/36/409674536.db2.gz UOAHRKLWZDBTNF-LBPRGKRZSA-N 2 1 198.354 1.964 20 0 ADADMP CC1(C)CC[C@@H]1[NH2+]CC[NH2+]C1CC1 308143483 409687271 /nfs/dbraw/zinc/68/72/71/409687271.db2.gz MPQMDDWSIAMAPB-JTQLQIEISA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@H]1[NH2+]CC[NH2+]C1CC1 308143484 409689839 /nfs/dbraw/zinc/68/98/39/409689839.db2.gz MPQMDDWSIAMAPB-SNVBAGLBSA-N 2 1 182.311 1.517 20 0 ADADMP CC(C)CC[C@H]([NH2+]CC[NH3+])C1CC1 308176694 409691512 /nfs/dbraw/zinc/69/15/12/409691512.db2.gz FOWHJSJQPDPUPK-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)CC[NH2+][C@](C)(C[NH3+])C(C)C 308172194 409691831 /nfs/dbraw/zinc/69/18/31/409691831.db2.gz CUMRWOUCJYINNJ-LLVKDONJSA-N 2 1 186.343 1.996 20 0 ADADMP C[C@H](C[N@@H+](C)CCC[NH3+])C(C)(C)C 308167774 409691934 /nfs/dbraw/zinc/69/19/34/409691934.db2.gz BKJDDNMZOQNORG-SNVBAGLBSA-N 2 1 186.343 1.949 20 0 ADADMP CC(C)CC[C@@H]([NH2+]CC[NH3+])C1CC1 308176693 409692764 /nfs/dbraw/zinc/69/27/64/409692764.db2.gz FOWHJSJQPDPUPK-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](C[N@@H+](C)CCC[NH3+])C(C)(C)C 308167771 409692805 /nfs/dbraw/zinc/69/28/05/409692805.db2.gz BKJDDNMZOQNORG-JTQLQIEISA-N 2 1 186.343 1.949 20 0 ADADMP CC(C)CC[NH2+][C@@](C)(C[NH3+])C(C)C 308172197 409692994 /nfs/dbraw/zinc/69/29/94/409692994.db2.gz CUMRWOUCJYINNJ-NSHDSACASA-N 2 1 186.343 1.996 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCCCF 308178463 409693351 /nfs/dbraw/zinc/69/33/51/409693351.db2.gz GGNTVZWWFFBYJS-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+]1CCCCCF 308178463 409693355 /nfs/dbraw/zinc/69/33/55/409693355.db2.gz GGNTVZWWFFBYJS-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP FCCCCC[N@@H+]1CCC[NH2+]CC1 308186094 409693581 /nfs/dbraw/zinc/69/35/81/409693581.db2.gz JUUJRSYRJIGXMI-UHFFFAOYSA-N 2 1 188.290 1.422 20 0 ADADMP FCCCCC[N@H+]1CCC[NH2+]CC1 308186094 409693590 /nfs/dbraw/zinc/69/35/90/409693590.db2.gz JUUJRSYRJIGXMI-UHFFFAOYSA-N 2 1 188.290 1.422 20 0 ADADMP [NH3+][C@@H]1CCC[N@H+](CCCCCF)C1 308187610 409695282 /nfs/dbraw/zinc/69/52/82/409695282.db2.gz KZWVPHZLXPQTRM-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP [NH3+][C@@H]1CCC[N@@H+](CCCCCF)C1 308187610 409695289 /nfs/dbraw/zinc/69/52/89/409695289.db2.gz KZWVPHZLXPQTRM-SNVBAGLBSA-N 2 1 188.290 1.549 20 0 ADADMP CC[C@H](C)C[NH2+][C@](C)(C[NH3+])C(C)C 308190580 409695735 /nfs/dbraw/zinc/69/57/35/409695735.db2.gz NHGGKFPWFSJIGC-WDEREUQCSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@](C)(C[NH3+])C(C)C 308190367 409695896 /nfs/dbraw/zinc/69/58/96/409695896.db2.gz NHGGKFPWFSJIGC-MNOVXSKESA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@H](C)C[NH2+][C@@](C)(C[NH3+])C(C)C 308190579 409696131 /nfs/dbraw/zinc/69/61/31/409696131.db2.gz NHGGKFPWFSJIGC-QWRGUYRKSA-N 2 1 186.343 1.996 20 0 ADADMP CC[C@@H](C)C[NH2+][C@](C)(C[NH3+])C(C)C 308190366 409696443 /nfs/dbraw/zinc/69/64/43/409696443.db2.gz NHGGKFPWFSJIGC-GHMZBOCLSA-N 2 1 186.343 1.996 20 0 ADADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CCC1 308206164 409696608 /nfs/dbraw/zinc/69/66/08/409696608.db2.gz YYEBYKMKKCNIOQ-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP [NH3+][C@H]1CCC[N@H+](CCCCCF)C1 308187609 409697405 /nfs/dbraw/zinc/69/74/05/409697405.db2.gz KZWVPHZLXPQTRM-JTQLQIEISA-N 2 1 188.290 1.549 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+](CCCCCF)C1 308187609 409697412 /nfs/dbraw/zinc/69/74/12/409697412.db2.gz KZWVPHZLXPQTRM-JTQLQIEISA-N 2 1 188.290 1.549 20 0 ADADMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CCC1 308206165 409697518 /nfs/dbraw/zinc/69/75/18/409697518.db2.gz YYEBYKMKKCNIOQ-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1[NH3+] 662242521 409700401 /nfs/dbraw/zinc/70/04/01/409700401.db2.gz ATADDWFHWVRLSY-JQWIXIFHSA-N 2 1 194.322 1.622 20 0 ADADMP C[N@@H+](CCC[NH3+])CCCC1CCC1 662246193 409700908 /nfs/dbraw/zinc/70/09/08/409700908.db2.gz PKAQHDWZYNBVMS-UHFFFAOYSA-N 2 1 184.327 1.847 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CCC=C(C)C)C1 662244660 409701170 /nfs/dbraw/zinc/70/11/70/409701170.db2.gz FCYPXTSTUFJAQK-GFCCVEGCSA-N 2 1 196.338 1.884 20 0 ADADMP [NH3+][C@H]1CCC[N@H+](CCCC2CCC2)C1 662233584 409701441 /nfs/dbraw/zinc/70/14/41/409701441.db2.gz HIDQJZTXUPNWHF-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1CCC[N@@H+](CCCC2CCC2)C1 662233584 409701449 /nfs/dbraw/zinc/70/14/49/409701449.db2.gz HIDQJZTXUPNWHF-LBPRGKRZSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@H]1CC[N@H+](CCCC2CCC2)C1 662242085 409701492 /nfs/dbraw/zinc/70/14/92/409701492.db2.gz BLIKGZNHBPTWTI-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@H]1CC[N@@H+](CCCC2CCC2)C1 662242085 409701496 /nfs/dbraw/zinc/70/14/96/409701496.db2.gz BLIKGZNHBPTWTI-NSHDSACASA-N 2 1 182.311 1.600 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1[NH3+] 662242523 409701532 /nfs/dbraw/zinc/70/15/32/409701532.db2.gz ATADDWFHWVRLSY-ZYHUDNBSSA-N 2 1 194.322 1.622 20 0 ADADMP C[C@H]1C[N@@H+](CC2CC=CC2)CC[C@H]1[NH3+] 662242520 409701651 /nfs/dbraw/zinc/70/16/51/409701651.db2.gz ATADDWFHWVRLSY-CMPLNLGQSA-N 2 1 194.322 1.622 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC=C(C)C)C1 662244661 409701781 /nfs/dbraw/zinc/70/17/81/409701781.db2.gz FCYPXTSTUFJAQK-LBPRGKRZSA-N 2 1 196.338 1.884 20 0 ADADMP COCC[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] 662293598 409709876 /nfs/dbraw/zinc/70/98/76/409709876.db2.gz VDKMOHUBMLDQSD-SECBINFHSA-N 2 1 188.315 1.081 20 0 ADADMP [NH3+][C@@H]1CCC[N@H+](CCCC2CCC2)C1 662233582 409702218 /nfs/dbraw/zinc/70/22/18/409702218.db2.gz HIDQJZTXUPNWHF-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+][C@@H]1CCC[N@@H+](CCCC2CCC2)C1 662233582 409702225 /nfs/dbraw/zinc/70/22/25/409702225.db2.gz HIDQJZTXUPNWHF-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP C1CC(C[N@H+]2CC[C@H]3C[C@H]3C2)CC[NH2+]1 662225159 409702318 /nfs/dbraw/zinc/70/23/18/409702318.db2.gz SSYBKOLXAYJVIF-RYUDHWBXSA-N 2 1 194.322 1.328 20 0 ADADMP C[N@@H+](CC1CC=CC1)C1CC[NH2+]CC1 662238167 409702443 /nfs/dbraw/zinc/70/24/43/409702443.db2.gz NUIAVRLXQXYJKV-UHFFFAOYSA-N 2 1 194.322 1.636 20 0 ADADMP [NH3+]C[C@@H]1CC[N@@H+](CCCC2CCC2)C1 662246073 409702921 /nfs/dbraw/zinc/70/29/21/409702921.db2.gz NWHJHKWZKFEGAI-LBPRGKRZSA-N 2 1 196.338 1.847 20 0 ADADMP [NH3+][C@@H]1CC[N@H+](CCCC2CCC2)C1 662234074 409703065 /nfs/dbraw/zinc/70/30/65/409703065.db2.gz BLIKGZNHBPTWTI-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+][C@@H]1CC[N@@H+](CCCC2CCC2)C1 662234074 409703071 /nfs/dbraw/zinc/70/30/71/409703071.db2.gz BLIKGZNHBPTWTI-LLVKDONJSA-N 2 1 182.311 1.600 20 0 ADADMP [NH3+]C[C@H]1CC[N@@H+](CCCC2CCC2)C1 662246072 409703268 /nfs/dbraw/zinc/70/32/68/409703268.db2.gz NWHJHKWZKFEGAI-GFCCVEGCSA-N 2 1 196.338 1.847 20 0 ADADMP C1CC(C[N@H+]2CC[C@@H]3C[C@@H]3C2)CC[NH2+]1 662225183 409703439 /nfs/dbraw/zinc/70/34/39/409703439.db2.gz SSYBKOLXAYJVIF-VXGBXAGGSA-N 2 1 194.322 1.328 20 0 ADADMP C1CC(CCC[N@H+]2CCC[NH2+]CC2)C1 662240018 409703470 /nfs/dbraw/zinc/70/34/70/409703470.db2.gz HTGZKAUMPGIDMJ-UHFFFAOYSA-N 2 1 196.338 1.862 20 0 ADADMP C[C@@H]1C[N@@H+](CC2CC=CC2)CC[C@@H]1[NH3+] 662242522 409703627 /nfs/dbraw/zinc/70/36/27/409703627.db2.gz ATADDWFHWVRLSY-PWSUYJOCSA-N 2 1 194.322 1.622 20 0 ADADMP CCN1CCC([NH2+][C@@H](C)CF)CC1 308246856 409703881 /nfs/dbraw/zinc/70/38/81/409703881.db2.gz WQWPAAUUPCBMQU-VIFPVBQESA-N 2 1 188.290 1.418 20 0 ADADMP C[C@@H]1C[N@@H+](C[C@H]2C[C@@H]3C[C@@H]3C2)C[C@H]1[NH3+] 662275613 409704524 /nfs/dbraw/zinc/70/45/24/409704524.db2.gz CYWMTMYOMZOUHP-RMPHRYRLSA-N 2 1 194.322 1.312 20 0 ADADMP C[NH2+]C[C@H]1CC[N@@H+](CC2CC=CC2)C1 662247168 409704619 /nfs/dbraw/zinc/70/46/19/409704619.db2.gz UPNKGLNQPSAQTC-GFCCVEGCSA-N 2 1 194.322 1.494 20 0 ADADMP CC(C)[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 662275409 409704853 /nfs/dbraw/zinc/70/48/53/409704853.db2.gz CBWQIOPVUSPQOV-QJPTWQEYSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CC1CC=CC1)C1CC1 662247865 409704897 /nfs/dbraw/zinc/70/48/97/409704897.db2.gz NIROHGUXTHQHLH-LBPRGKRZSA-N 2 1 194.322 1.670 20 0 ADADMP CC(C)=CCC[N@H+](C)C1CC([NH3+])C1 662273219 409705115 /nfs/dbraw/zinc/70/51/15/409705115.db2.gz KOFXLZVVZXCYJO-UHFFFAOYSA-N 2 1 182.311 1.764 20 0 ADADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC=CC1 662264353 409705177 /nfs/dbraw/zinc/70/51/77/409705177.db2.gz JGCFOSCQBWALAJ-CMPLNLGQSA-N 2 1 194.322 1.622 20 0 ADADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662266888 409705344 /nfs/dbraw/zinc/70/53/44/409705344.db2.gz QAGRBUORTHTCJY-ZYHUDNBSSA-N 2 1 194.322 1.622 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+]1CCCC1CCC1 662247410 409705474 /nfs/dbraw/zinc/70/54/74/409705474.db2.gz ZYCZGMRTOSXACQ-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP [NH3+]C[C@H]1CCC[N@H+]1CCCC1CCC1 662247410 409705480 /nfs/dbraw/zinc/70/54/80/409705480.db2.gz ZYCZGMRTOSXACQ-GFCCVEGCSA-N 2 1 196.338 1.990 20 0 ADADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1CC=CC1 662264356 409707974 /nfs/dbraw/zinc/70/79/74/409707974.db2.gz JGCFOSCQBWALAJ-ZYHUDNBSSA-N 2 1 194.322 1.622 20 0 ADADMP C[NH2+]C[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662247169 409706127 /nfs/dbraw/zinc/70/61/27/409706127.db2.gz UPNKGLNQPSAQTC-LBPRGKRZSA-N 2 1 194.322 1.494 20 0 ADADMP CC(C)[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 662275411 409706148 /nfs/dbraw/zinc/70/61/48/409706148.db2.gz CBWQIOPVUSPQOV-SRVKXCTJSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC=CC2)C1 662266885 409706291 /nfs/dbraw/zinc/70/62/91/409706291.db2.gz QAGRBUORTHTCJY-CMPLNLGQSA-N 2 1 194.322 1.622 20 0 ADADMP CC(C)[C@H](C)[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 662275410 409706744 /nfs/dbraw/zinc/70/67/44/409706744.db2.gz CBWQIOPVUSPQOV-SDDRHHMPSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC=CC1 662264355 409706812 /nfs/dbraw/zinc/70/68/12/409706812.db2.gz JGCFOSCQBWALAJ-PWSUYJOCSA-N 2 1 194.322 1.622 20 0 ADADMP CC(C)=CCC[N@H+]1C[C@@H]([NH3+])[C@H](C)C1 662275526 409707291 /nfs/dbraw/zinc/70/72/91/409707291.db2.gz BUFGXJJNKJUHNF-GHMZBOCLSA-N 2 1 182.311 1.622 20 0 ADADMP C[C@](C[NH3+])([NH2+]CC1CC=CC1)C1CC1 662247864 409707353 /nfs/dbraw/zinc/70/73/53/409707353.db2.gz NIROHGUXTHQHLH-GFCCVEGCSA-N 2 1 194.322 1.670 20 0 ADADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1CC=CC1 662264354 409707577 /nfs/dbraw/zinc/70/75/77/409707577.db2.gz JGCFOSCQBWALAJ-JQWIXIFHSA-N 2 1 194.322 1.622 20 0 ADADMP C[N@@H+](CC1CC=CC1)CC(C)(C)C[NH3+] 662247820 409707603 /nfs/dbraw/zinc/70/76/03/409707603.db2.gz LULFQWUCMJQVBK-UHFFFAOYSA-N 2 1 196.338 1.869 20 0 ADADMP C[C@]1(C[NH3+])CC[N@@H+](CC2CC=CC2)C1 662273319 409707634 /nfs/dbraw/zinc/70/76/34/409707634.db2.gz NVXZPTMCRFHRMY-GFCCVEGCSA-N 2 1 194.322 1.623 20 0 ADADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC2CC=CC2)C1 662266887 409707730 /nfs/dbraw/zinc/70/77/30/409707730.db2.gz QAGRBUORTHTCJY-PWSUYJOCSA-N 2 1 194.322 1.622 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](CC2CC=CC2)C1 662273492 409707922 /nfs/dbraw/zinc/70/79/22/409707922.db2.gz NVXZPTMCRFHRMY-LBPRGKRZSA-N 2 1 194.322 1.623 20 0 ADADMP CC(C)[C@H](C)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 662275412 409708109 /nfs/dbraw/zinc/70/81/09/409708109.db2.gz CBWQIOPVUSPQOV-TUAOUCFPSA-N 2 1 196.338 1.715 20 0 ADADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2CC=CC2)C1 662266886 409708353 /nfs/dbraw/zinc/70/83/53/409708353.db2.gz QAGRBUORTHTCJY-JQWIXIFHSA-N 2 1 194.322 1.622 20 0 ADADMP C[N@@H+](CCCC1CCC1)C1CC([NH3+])C1 662272219 409708439 /nfs/dbraw/zinc/70/84/39/409708439.db2.gz CSGUQPIDTRBUMA-UHFFFAOYSA-N 2 1 196.338 1.988 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCC=C(C)C 662282483 409709538 /nfs/dbraw/zinc/70/95/38/409709538.db2.gz VURAFCCMRDLZFJ-UHFFFAOYSA-N 2 1 184.327 1.884 20 0 ADADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC=CC1 662285028 409709820 /nfs/dbraw/zinc/70/98/20/409709820.db2.gz UTPDWYSOFGTAIL-PWSUYJOCSA-N 2 1 194.322 1.764 20 0 ADADMP C[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1[NH3+] 662275683 409710149 /nfs/dbraw/zinc/71/01/49/409710149.db2.gz DHYCOJHCUGVTOO-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H]1[NH3+] 662275683 409710153 /nfs/dbraw/zinc/71/01/53/409710153.db2.gz DHYCOJHCUGVTOO-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC=CC1 662285026 409710688 /nfs/dbraw/zinc/71/06/88/409710688.db2.gz UTPDWYSOFGTAIL-CMPLNLGQSA-N 2 1 194.322 1.764 20 0 ADADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CC=CC1 662285029 409710848 /nfs/dbraw/zinc/71/08/48/409710848.db2.gz UTPDWYSOFGTAIL-ZYHUDNBSSA-N 2 1 194.322 1.764 20 0 ADADMP COCC[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] 662293599 409711218 /nfs/dbraw/zinc/71/12/18/409711218.db2.gz VDKMOHUBMLDQSD-VIFPVBQESA-N 2 1 188.315 1.081 20 0 ADADMP C[N@H+](CCCF)CC(C)(C)[NH3+] 662295809 409711260 /nfs/dbraw/zinc/71/12/60/409711260.db2.gz UVFLKZIPLBHPHV-UHFFFAOYSA-N 2 1 162.252 1.015 20 0 ADADMP C[N@@H+](CCCF)CC(C)(C)[NH3+] 662295809 409711272 /nfs/dbraw/zinc/71/12/72/409711272.db2.gz UVFLKZIPLBHPHV-UHFFFAOYSA-N 2 1 162.252 1.015 20 0 ADADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CC=CC1 662278153 409711821 /nfs/dbraw/zinc/71/18/21/409711821.db2.gz WWMULTAAAHFZPE-NSHDSACASA-N 2 1 196.338 1.916 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CC1CC=CC1 662280645 409712029 /nfs/dbraw/zinc/71/20/29/409712029.db2.gz GJGVPRBOJFHXHK-UHFFFAOYSA-N 2 1 182.311 1.494 20 0 ADADMP C[N@H+](CC[NH3+])CCCC1CCC1 662280595 409712204 /nfs/dbraw/zinc/71/22/04/409712204.db2.gz GAEURCFBYPXAAL-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP C[N@@H+](CC[NH3+])CCCC1CCC1 662280595 409712210 /nfs/dbraw/zinc/71/22/10/409712210.db2.gz GAEURCFBYPXAAL-UHFFFAOYSA-N 2 1 170.300 1.457 20 0 ADADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CC=CC1 662285027 409712493 /nfs/dbraw/zinc/71/24/93/409712493.db2.gz UTPDWYSOFGTAIL-JQWIXIFHSA-N 2 1 194.322 1.764 20 0 ADADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CC=CC1 662278151 409712858 /nfs/dbraw/zinc/71/28/58/409712858.db2.gz WWMULTAAAHFZPE-LLVKDONJSA-N 2 1 196.338 1.916 20 0 ADADMP C[N@@H+](CCCCCF)CC(C)(C)[NH3+] 662296052 409712903 /nfs/dbraw/zinc/71/29/03/409712903.db2.gz VRACVDGZLNVUDM-UHFFFAOYSA-N 2 1 190.306 1.795 20 0 ADADMP C1C[NH2+]C[C@H](C[N@H+]2CC[C@@H]3C[C@@H]3C2)C1 662314157 409715178 /nfs/dbraw/zinc/71/51/78/409715178.db2.gz ASKWKHOEQBNYGE-IJLUTSLNSA-N 2 1 194.322 1.328 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@H]1CC1(C)C 662331225 409715468 /nfs/dbraw/zinc/71/54/68/409715468.db2.gz LXGBIRGQWBDSSS-SNVBAGLBSA-N 2 1 184.327 1.574 20 0 ADADMP C1C[C@H](CC[N@H+]2CC[C@@H]3C[C@@H]3C2)C[NH2+]1 662314221 409715724 /nfs/dbraw/zinc/71/57/24/409715724.db2.gz BWLCBNIVELUEHK-IJLUTSLNSA-N 2 1 194.322 1.328 20 0 ADADMP C1C[NH2+]C[C@H](C[N@H+]2CC[C@H]3C[C@H]3C2)C1 662314165 409716434 /nfs/dbraw/zinc/71/64/34/409716434.db2.gz ASKWKHOEQBNYGE-WOPDTQHZSA-N 2 1 194.322 1.328 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C[C@@H]1CC1(C)C 662331224 409717109 /nfs/dbraw/zinc/71/71/09/409717109.db2.gz LXGBIRGQWBDSSS-JTQLQIEISA-N 2 1 184.327 1.574 20 0 ADADMP CC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] 662312512 409717262 /nfs/dbraw/zinc/71/72/62/409717262.db2.gz HANZOJZLWVPUMS-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP C1C[C@H](CC[N@H+]2CC[C@H]3C[C@H]3C2)C[NH2+]1 662314224 409717779 /nfs/dbraw/zinc/71/77/79/409717779.db2.gz BWLCBNIVELUEHK-WOPDTQHZSA-N 2 1 194.322 1.328 20 0 ADADMP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C 662332524 409719285 /nfs/dbraw/zinc/71/92/85/409719285.db2.gz WSFPIFNBCYBUCJ-QWRGUYRKSA-N 2 1 196.338 1.574 20 0 ADADMP C[N@H+](C[C@H]1CC[NH2+]C1)C[C@H]1CC1(C)C 662332526 409719315 /nfs/dbraw/zinc/71/93/15/409719315.db2.gz WSFPIFNBCYBUCJ-WDEREUQCSA-N 2 1 196.338 1.574 20 0 ADADMP C[N@@H+](C[C@H]1CC1(C)C)C[C@@H]1CC[NH2+]C1 662332519 409720427 /nfs/dbraw/zinc/72/04/27/409720427.db2.gz WSFPIFNBCYBUCJ-GHMZBOCLSA-N 2 1 196.338 1.574 20 0 ADADMP C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CC1(C)C 662332521 409720501 /nfs/dbraw/zinc/72/05/01/409720501.db2.gz WSFPIFNBCYBUCJ-MNOVXSKESA-N 2 1 196.338 1.574 20 0 ADADMP CCCC[NH2+][C@@](C)(C[NH3+])C1CC1 308426197 409722310 /nfs/dbraw/zinc/72/23/10/409722310.db2.gz WYBVHXIDJZQIFI-JTQLQIEISA-N 2 1 170.300 1.504 20 0 ADADMP CCCC[NH2+][C@](C)(C[NH3+])C1CC1 308426198 409723299 /nfs/dbraw/zinc/72/32/99/409723299.db2.gz WYBVHXIDJZQIFI-SNVBAGLBSA-N 2 1 170.300 1.504 20 0 ADADMP CCC(C)(C)CC[NH2+][C@H]1CC[NH2+]C1 308510275 409729992 /nfs/dbraw/zinc/72/99/92/409729992.db2.gz IXDJOSTVFPOZTH-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CCC(C)(C)CC[NH2+][C@@H]1CC[NH2+]C1 308510276 409730222 /nfs/dbraw/zinc/73/02/22/409730222.db2.gz IXDJOSTVFPOZTH-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 308552152 409732467 /nfs/dbraw/zinc/73/24/67/409732467.db2.gz SMYVFRYVZIDFLM-VIFPVBQESA-N 2 1 193.294 1.470 20 0 ADADMP C[NH2+]CCC[N@@H+](C)C(C1CC1)C1CC1 308556514 409733144 /nfs/dbraw/zinc/73/31/44/409733144.db2.gz SPJVLMQELOXFNM-UHFFFAOYSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccncc1 308561158 409737228 /nfs/dbraw/zinc/73/72/28/409737228.db2.gz XKPIVVKWKJUDTM-SECBINFHSA-N 2 1 193.294 1.470 20 0 ADADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccncc1 308561159 409737982 /nfs/dbraw/zinc/73/79/82/409737982.db2.gz XKPIVVKWKJUDTM-VIFPVBQESA-N 2 1 193.294 1.470 20 0 ADADMP CC(C)(C[NH+]1CCCC1)[NH2+]CC1CC1 308614377 409740431 /nfs/dbraw/zinc/74/04/31/409740431.db2.gz MHRJBVMAPHIIGK-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 308623120 409743358 /nfs/dbraw/zinc/74/33/58/409743358.db2.gz XQUOQXAVAKMJQG-RYUDHWBXSA-N 2 1 196.338 1.847 20 0 ADADMP CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 308619702 409744115 /nfs/dbraw/zinc/74/41/15/409744115.db2.gz UUTWJEXXDDEJFV-VXGBXAGGSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 308619695 409744288 /nfs/dbraw/zinc/74/42/88/409744288.db2.gz UUTWJEXXDDEJFV-NEPJUHHUSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 308619697 409744456 /nfs/dbraw/zinc/74/44/56/409744456.db2.gz UUTWJEXXDDEJFV-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 308619700 409744725 /nfs/dbraw/zinc/74/47/25/409744725.db2.gz UUTWJEXXDDEJFV-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[C@H](C)C[NH2+][C@@](C)(C[NH3+])C1CC1 308654454 409745891 /nfs/dbraw/zinc/74/58/91/409745891.db2.gz NEGKSEPRESHQRJ-ONGXEEELSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@H](C)C[NH2+][C@](C)(C[NH3+])C1CC1 308654451 409746330 /nfs/dbraw/zinc/74/63/30/409746330.db2.gz NEGKSEPRESHQRJ-GXSJLCMTSA-N 2 1 184.327 1.750 20 0 ADADMP CC(C)[N@H+](C[C@H](C)N)C1CCCC1 308652672 409746602 /nfs/dbraw/zinc/74/66/02/409746602.db2.gz LTOFMHRJLMUWGC-JTQLQIEISA-N 2 1 184.327 1.987 20 0 ADADMP CC(C)[N@H+](C[C@@H](C)N)C1CCCC1 308652673 409747684 /nfs/dbraw/zinc/74/76/84/409747684.db2.gz LTOFMHRJLMUWGC-SNVBAGLBSA-N 2 1 184.327 1.987 20 0 ADADMP CC[C@@H](C)C[NH2+][C@](C)(C[NH3+])C1CC1 308654453 409747896 /nfs/dbraw/zinc/74/78/96/409747896.db2.gz NEGKSEPRESHQRJ-MWLCHTKSSA-N 2 1 184.327 1.750 20 0 ADADMP CC[C@@H](C)C[NH2+][C@@](C)(C[NH3+])C1CC1 308654452 409748443 /nfs/dbraw/zinc/74/84/43/409748443.db2.gz NEGKSEPRESHQRJ-KOLCDFICSA-N 2 1 184.327 1.750 20 0 ADADMP CCCC[N@H+](CCOC)C[C@@H](C)[NH3+] 308667997 409749939 /nfs/dbraw/zinc/74/99/39/409749939.db2.gz UFRQFKCYEHAAML-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP CCCC[N@@H+](CCOC)C[C@@H](C)[NH3+] 308667997 409749944 /nfs/dbraw/zinc/74/99/44/409749944.db2.gz UFRQFKCYEHAAML-SNVBAGLBSA-N 2 1 188.315 1.082 20 0 ADADMP C[C@](C[NH3+])([NH2+]CC1CCC1)C1CC1 308664243 409750297 /nfs/dbraw/zinc/75/02/97/409750297.db2.gz RNFPGGHWMSKXAH-LLVKDONJSA-N 2 1 182.311 1.504 20 0 ADADMP CCCC[N@H+](CCOC)C[C@H](C)[NH3+] 308667996 409750588 /nfs/dbraw/zinc/75/05/88/409750588.db2.gz UFRQFKCYEHAAML-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP CCCC[N@@H+](CCOC)C[C@H](C)[NH3+] 308667996 409750592 /nfs/dbraw/zinc/75/05/92/409750592.db2.gz UFRQFKCYEHAAML-JTQLQIEISA-N 2 1 188.315 1.082 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CC1CCC1)C1CC1 308664245 409750756 /nfs/dbraw/zinc/75/07/56/409750756.db2.gz RNFPGGHWMSKXAH-NSHDSACASA-N 2 1 182.311 1.504 20 0 ADADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cccnc1 308694680 409751280 /nfs/dbraw/zinc/75/12/80/409751280.db2.gz SMYVFRYVZIDFLM-SECBINFHSA-N 2 1 193.294 1.470 20 0 ADADMP CCC(C)(C)CC[N@@H+]1CC[C@H]([NH3+])C1 308675331 409751562 /nfs/dbraw/zinc/75/15/62/409751562.db2.gz WBJQNTYJCMEUBV-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CCC(C)(C)CC[N@H+]1CC[C@H]([NH3+])C1 308675331 409751567 /nfs/dbraw/zinc/75/15/67/409751567.db2.gz WBJQNTYJCMEUBV-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC1 308749598 409753350 /nfs/dbraw/zinc/75/33/50/409753350.db2.gz SXXGQBPXOCSGRV-SNVBAGLBSA-N 2 1 182.311 1.470 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)C(C)C 308851501 409753775 /nfs/dbraw/zinc/75/37/75/409753775.db2.gz BLBQZLRMKATWQL-NWDGAFQWSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)C(C)C 308851802 409753813 /nfs/dbraw/zinc/75/38/13/409753813.db2.gz BLBQZLRMKATWQL-RYUDHWBXSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)C(C)C 308851500 409753854 /nfs/dbraw/zinc/75/38/54/409753854.db2.gz BLBQZLRMKATWQL-NEPJUHHUSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)C(C)C 308851803 409754316 /nfs/dbraw/zinc/75/43/16/409754316.db2.gz BLBQZLRMKATWQL-VXGBXAGGSA-N 2 1 198.354 1.962 20 0 ADADMP CC[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC1 308749597 409754621 /nfs/dbraw/zinc/75/46/21/409754621.db2.gz SXXGQBPXOCSGRV-JTQLQIEISA-N 2 1 182.311 1.470 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@H]1C1CCC1 308878276 409756784 /nfs/dbraw/zinc/75/67/84/409756784.db2.gz OOGTZDIVSPUBEV-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC[C@@H]1C1CCC1 308878275 409756925 /nfs/dbraw/zinc/75/69/25/409756925.db2.gz OOGTZDIVSPUBEV-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2C)C1 308895209 409758525 /nfs/dbraw/zinc/75/85/25/409758525.db2.gz ZPENSNUWAWBMAI-WOPDTQHZSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2C)C1 308895208 409759975 /nfs/dbraw/zinc/75/99/75/409759975.db2.gz ZPENSNUWAWBMAI-SRVKXCTJSA-N 2 1 196.338 1.574 20 0 ADADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CCC1 308945111 409760374 /nfs/dbraw/zinc/76/03/74/409760374.db2.gz RTJVTKOIUGPIDX-LLVKDONJSA-N 2 1 196.338 1.859 20 0 ADADMP CC(C)[N@@H+](C[C@H]1CC[NH2+]C1)C1CCC1 308945113 409760456 /nfs/dbraw/zinc/76/04/56/409760456.db2.gz RTJVTKOIUGPIDX-NSHDSACASA-N 2 1 196.338 1.859 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2C)C1 308895206 409761186 /nfs/dbraw/zinc/76/11/86/409761186.db2.gz ZPENSNUWAWBMAI-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2C)C1 308895207 409761423 /nfs/dbraw/zinc/76/14/23/409761423.db2.gz ZPENSNUWAWBMAI-SDDRHHMPSA-N 2 1 196.338 1.574 20 0 ADADMP C[N@@H+](CC(C)(C)N)C(C1CC1)C1CC1 309100590 409767800 /nfs/dbraw/zinc/76/78/00/409767800.db2.gz FMDYHNWFXSPSMG-UHFFFAOYSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 309107930 409769884 /nfs/dbraw/zinc/76/98/84/409769884.db2.gz IRUIKXWJWZNMAX-UTUOFQBUSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](CC[NH3+])C1 309107929 409770293 /nfs/dbraw/zinc/77/02/93/409770293.db2.gz IRUIKXWJWZNMAX-IJLUTSLNSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 309107928 409771654 /nfs/dbraw/zinc/77/16/54/409771654.db2.gz IRUIKXWJWZNMAX-GRYCIOLGSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](CC[NH3+])C1 309107931 409772347 /nfs/dbraw/zinc/77/23/47/409772347.db2.gz IRUIKXWJWZNMAX-WOPDTQHZSA-N 2 1 196.338 1.703 20 0 ADADMP CCC[C@H]([NH2+]CC[NH3+])C1CCCC1 313400229 409778016 /nfs/dbraw/zinc/77/80/16/409778016.db2.gz RZQDLCBCTVXVRT-NSHDSACASA-N 2 1 184.327 1.894 20 0 ADADMP CCC[C@@H]([NH2+]CC[NH3+])C1CCCC1 313400226 409778582 /nfs/dbraw/zinc/77/85/82/409778582.db2.gz RZQDLCBCTVXVRT-LLVKDONJSA-N 2 1 184.327 1.894 20 0 ADADMP CC[NH+](CC)CCCc1c[nH+]cn1C 314139777 409781449 /nfs/dbraw/zinc/78/14/49/409781449.db2.gz LHXACYRFPFRKPT-UHFFFAOYSA-N 2 1 195.310 1.695 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@H](C)C[NH2+]C 663512646 409787910 /nfs/dbraw/zinc/78/79/10/409787910.db2.gz HGCOSMQWLUMDLQ-NXEZZACHSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 663511191 409787510 /nfs/dbraw/zinc/78/75/10/409787510.db2.gz VXTKNZCXDQISMP-UTLUCORTSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C1CCC(C)CC1 663511599 409787703 /nfs/dbraw/zinc/78/77/03/409787703.db2.gz XPMRVHZQCHUUFG-YVNMAJEFSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C 663509953 409787728 /nfs/dbraw/zinc/78/77/28/409787728.db2.gz NHMHJLLHENPPGJ-LPEHRKFASA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C 663510456 409788040 /nfs/dbraw/zinc/78/80/40/409788040.db2.gz QHCRDDXFPCLNFC-DCAQKATOSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C 663509951 409788108 /nfs/dbraw/zinc/78/81/08/409788108.db2.gz NHMHJLLHENPPGJ-KXUCPTDWSA-N 2 1 170.300 1.373 20 0 ADADMP CCC[C@H](CC)[NH2+][C@H](C)C[NH2+]C 663512652 409788212 /nfs/dbraw/zinc/78/82/12/409788212.db2.gz HGCOSMQWLUMDLQ-ZJUUUORDSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC1CCC1 663512016 409788265 /nfs/dbraw/zinc/78/82/65/409788265.db2.gz DUIKEXAUNYURCQ-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC1CCC1 663512022 409788615 /nfs/dbraw/zinc/78/86/15/409788615.db2.gz DUIKEXAUNYURCQ-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 663511186 409788640 /nfs/dbraw/zinc/78/86/40/409788640.db2.gz VXTKNZCXDQISMP-GUBZILKMSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC1(C)C 663510491 409788777 /nfs/dbraw/zinc/78/87/77/409788777.db2.gz QTYXTOGKIQSSQU-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC1CCC1 663512025 409788911 /nfs/dbraw/zinc/78/89/11/409788911.db2.gz DUIKEXAUNYURCQ-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@@H](C)C[NH2+]C 663512651 409788937 /nfs/dbraw/zinc/78/89/37/409788937.db2.gz HGCOSMQWLUMDLQ-VHSXEESVSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCC1(C)C 663510493 409788962 /nfs/dbraw/zinc/78/89/62/409788962.db2.gz QTYXTOGKIQSSQU-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 663511190 409789091 /nfs/dbraw/zinc/78/90/91/409789091.db2.gz VXTKNZCXDQISMP-LPEHRKFASA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC1CCC1 663512013 409789936 /nfs/dbraw/zinc/78/99/36/409789936.db2.gz DUIKEXAUNYURCQ-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCC1(C)C 663510490 409789265 /nfs/dbraw/zinc/78/92/65/409789265.db2.gz QTYXTOGKIQSSQU-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP CCC[C@H](CC)[NH2+][C@@H](C)C[NH2+]C 663512650 409789476 /nfs/dbraw/zinc/78/94/76/409789476.db2.gz HGCOSMQWLUMDLQ-UWVGGRQHSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C 663510458 409789598 /nfs/dbraw/zinc/78/95/98/409789598.db2.gz QHCRDDXFPCLNFC-OUAUKWLOSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@@H]1C 663509949 409789756 /nfs/dbraw/zinc/78/97/56/409789756.db2.gz NHMHJLLHENPPGJ-GUBZILKMSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC1(C)C 663510492 409789989 /nfs/dbraw/zinc/78/99/89/409789989.db2.gz QTYXTOGKIQSSQU-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC(C)CC1 663511597 409790205 /nfs/dbraw/zinc/79/02/05/409790205.db2.gz XPMRVHZQCHUUFG-HSOILSAZSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C 663510457 409790462 /nfs/dbraw/zinc/79/04/62/409790462.db2.gz QHCRDDXFPCLNFC-GARJFASQSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC[C@H]1C 663509955 409790542 /nfs/dbraw/zinc/79/05/42/409790542.db2.gz NHMHJLLHENPPGJ-UTLUCORTSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 663511188 409790869 /nfs/dbraw/zinc/79/08/69/409790869.db2.gz VXTKNZCXDQISMP-KXUCPTDWSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CCC1CC1 663514654 409792043 /nfs/dbraw/zinc/79/20/43/409792043.db2.gz RQISTWVYPWPNPB-ZJUUUORDSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C 663510459 409791033 /nfs/dbraw/zinc/79/10/33/409791033.db2.gz QHCRDDXFPCLNFC-VWYCJHECSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C1CCC1 663515042 409791778 /nfs/dbraw/zinc/79/17/78/409791778.db2.gz YRQKSDGKQPNXLN-DTWKUNHWSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C[C@@H](C)CC(C)C 663514396 409791957 /nfs/dbraw/zinc/79/19/57/409791957.db2.gz QWTLELLLCNIUNU-QWRGUYRKSA-N 2 1 186.343 1.866 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C[C@H](C)CC(C)C 663514395 409792210 /nfs/dbraw/zinc/79/22/10/409792210.db2.gz QWTLELLLCNIUNU-MNOVXSKESA-N 2 1 186.343 1.866 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CC1CC1 663513741 409792316 /nfs/dbraw/zinc/79/23/16/409792316.db2.gz LSEDACRRFUFKKX-IUCAKERBSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CCC1CC1 663514653 409792404 /nfs/dbraw/zinc/79/24/04/409792404.db2.gz RQISTWVYPWPNPB-VHSXEESVSA-N 2 1 184.327 1.763 20 0 ADADMP CCCC[C@H](C)[NH2+][C@H](C)C[NH2+]C 663513764 409792602 /nfs/dbraw/zinc/79/26/02/409792602.db2.gz LZHPGNSEIQZPGA-VHSXEESVSA-N 2 1 172.316 1.763 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@H](C)C[NH2+]C 663513762 409792745 /nfs/dbraw/zinc/79/27/45/409792745.db2.gz LZHPGNSEIQZPGA-NXEZZACHSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)CCC1CC1 663514652 409792781 /nfs/dbraw/zinc/79/27/81/409792781.db2.gz RQISTWVYPWPNPB-UWVGGRQHSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CCC1CC1 663514651 409792862 /nfs/dbraw/zinc/79/28/62/409792862.db2.gz RQISTWVYPWPNPB-NXEZZACHSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C1CCC1 663515041 409792891 /nfs/dbraw/zinc/79/28/91/409792891.db2.gz YRQKSDGKQPNXLN-BDAKNGLRSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C 335634786 409792969 /nfs/dbraw/zinc/79/29/69/409792969.db2.gz HRZLRYJFFLXKRJ-UWVGGRQHSA-N 2 1 170.300 1.230 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCCC1 335635303 409793068 /nfs/dbraw/zinc/79/30/68/409793068.db2.gz JVYAHERUCHWGCA-PWSUYJOCSA-N 2 1 196.338 1.764 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C1CCC1 663515043 409793080 /nfs/dbraw/zinc/79/30/80/409793080.db2.gz YRQKSDGKQPNXLN-IUCAKERBSA-N 2 1 170.300 1.373 20 0 ADADMP CC(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C 335634793 409793247 /nfs/dbraw/zinc/79/32/47/409793247.db2.gz HRZLRYJFFLXKRJ-VHSXEESVSA-N 2 1 170.300 1.230 20 0 ADADMP CC(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C 335634809 409793276 /nfs/dbraw/zinc/79/32/76/409793276.db2.gz HRZLRYJFFLXKRJ-ZJUUUORDSA-N 2 1 170.300 1.230 20 0 ADADMP CCCC[C@H](C)[NH2+][C@@H](C)C[NH2+]C 663513763 409793291 /nfs/dbraw/zinc/79/32/91/409793291.db2.gz LZHPGNSEIQZPGA-UWVGGRQHSA-N 2 1 172.316 1.763 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCCC1 335635304 409793293 /nfs/dbraw/zinc/79/32/93/409793293.db2.gz JVYAHERUCHWGCA-ZYHUDNBSSA-N 2 1 196.338 1.764 20 0 ADADMP CC(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C 335634785 409793307 /nfs/dbraw/zinc/79/33/07/409793307.db2.gz HRZLRYJFFLXKRJ-NXEZZACHSA-N 2 1 170.300 1.230 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C 663513765 409793312 /nfs/dbraw/zinc/79/33/12/409793312.db2.gz LZHPGNSEIQZPGA-ZJUUUORDSA-N 2 1 172.316 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C1CCC1 663515044 409793603 /nfs/dbraw/zinc/79/36/03/409793603.db2.gz YRQKSDGKQPNXLN-RKDXNWHRSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)CC1CC1 663513742 409793723 /nfs/dbraw/zinc/79/37/23/409793723.db2.gz LSEDACRRFUFKKX-RKDXNWHRSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C[C@H](C)CC(C)C 663514394 409793773 /nfs/dbraw/zinc/79/37/73/409793773.db2.gz QWTLELLLCNIUNU-GHMZBOCLSA-N 2 1 186.343 1.866 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)CC1CC1 663513594 409793836 /nfs/dbraw/zinc/79/38/36/409793836.db2.gz LSEDACRRFUFKKX-BDAKNGLRSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C[C@@H](C)CC(C)C 663514397 409794122 /nfs/dbraw/zinc/79/41/22/409794122.db2.gz QWTLELLLCNIUNU-WDEREUQCSA-N 2 1 186.343 1.866 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)CC1CC1 663513595 409794325 /nfs/dbraw/zinc/79/43/25/409794325.db2.gz LSEDACRRFUFKKX-DTWKUNHWSA-N 2 1 170.300 1.373 20 0 ADADMP C[C@@H](Cc1cccs1)[NH2+]CC[NH3+] 379321434 409825832 /nfs/dbraw/zinc/82/58/32/409825832.db2.gz CDQGGMJPNYLBTD-QMMMGPOBSA-N 2 1 184.308 1.227 20 0 ADADMP C[C@H](Cc1cccs1)[NH2+]CC[NH3+] 379321433 409825875 /nfs/dbraw/zinc/82/58/75/409825875.db2.gz CDQGGMJPNYLBTD-MRVPVSSYSA-N 2 1 184.308 1.227 20 0 ADADMP CC[N@@H+](C[C@@H](C)N)[C@@H](C)C(C)C 379359344 409831699 /nfs/dbraw/zinc/83/16/99/409831699.db2.gz YEGWWMINFLROTB-ZJUUUORDSA-N 2 1 172.316 1.700 20 0 ADADMP CC[N@@H+](C[C@H](C)N)[C@H](C)C(C)C 379359343 409832211 /nfs/dbraw/zinc/83/22/11/409832211.db2.gz YEGWWMINFLROTB-VHSXEESVSA-N 2 1 172.316 1.700 20 0 ADADMP CC[N@@H+](C[C@H](C)N)[C@@H](C)C(C)C 379359342 409833120 /nfs/dbraw/zinc/83/31/20/409833120.db2.gz YEGWWMINFLROTB-UWVGGRQHSA-N 2 1 172.316 1.700 20 0 ADADMP CC[N@@H+](C[C@@H](C)N)[C@H](C)C(C)C 379359341 409833302 /nfs/dbraw/zinc/83/33/02/409833302.db2.gz YEGWWMINFLROTB-NXEZZACHSA-N 2 1 172.316 1.700 20 0 ADADMP C[NH2+]CCC[N@@H+](C)CCCCCF 379367309 409834857 /nfs/dbraw/zinc/83/48/57/409834857.db2.gz MCQQGYVHHDRHHX-UHFFFAOYSA-N 2 1 190.306 1.668 20 0 ADADMP CCC[NH2+]CC[NH2+][C@H]1CCC1(C)C 379365198 409835512 /nfs/dbraw/zinc/83/55/12/409835512.db2.gz IZHFWCXAKNZPIW-JTQLQIEISA-N 2 1 184.327 1.764 20 0 ADADMP CCC[NH2+]CC[NH2+][C@@H]1CCC1(C)C 379365199 409835586 /nfs/dbraw/zinc/83/55/86/409835586.db2.gz IZHFWCXAKNZPIW-SNVBAGLBSA-N 2 1 184.327 1.764 20 0 ADADMP Cc1ncccc1C[N@H+](C)CCC[NH3+] 379539917 409849578 /nfs/dbraw/zinc/84/95/78/409849578.db2.gz OEMJUZARVLHBNL-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP Cc1ncccc1C[N@@H+](C)CCC[NH3+] 379539917 409849585 /nfs/dbraw/zinc/84/95/85/409849585.db2.gz OEMJUZARVLHBNL-UHFFFAOYSA-N 2 1 193.294 1.171 20 0 ADADMP C[NH2+]CCC[N@H+]1C[C@H]2[C@@H](C1)C2(C)C 379537737 409850040 /nfs/dbraw/zinc/85/00/40/409850040.db2.gz CSOXSAKJMFLJBT-AOOOYVTPSA-N 2 1 182.311 1.184 20 0 ADADMP C[NH2+]CCC[N@H+]1CCC2(CCC2)C1 379533875 409850178 /nfs/dbraw/zinc/85/01/78/409850178.db2.gz GAPUPWJZSRXUNE-UHFFFAOYSA-N 2 1 182.311 1.472 20 0 ADADMP CC[C@H]1CC[C@@H]1[NH2+][C@H]1CC[NH2+]C1 665241593 409856062 /nfs/dbraw/zinc/85/60/62/409856062.db2.gz SLKXZAWFJDBXNK-GUBZILKMSA-N 2 1 168.284 1.127 20 0 ADADMP C1CC([C@H]2CC[C@H]2[NH2+][C@H]2CC[NH2+]C2)C1 665241163 409857302 /nfs/dbraw/zinc/85/73/02/409857302.db2.gz AZTGQZOHLIXMHQ-QJPTWQEYSA-N 2 1 194.322 1.517 20 0 ADADMP CC[C@H]1CC[C@H]1[NH2+][C@H]1CC[NH2+]C1 665241594 409857373 /nfs/dbraw/zinc/85/73/73/409857373.db2.gz SLKXZAWFJDBXNK-LPEHRKFASA-N 2 1 168.284 1.127 20 0 ADADMP C1CC([C@H]2CC[C@@H]2[NH2+][C@H]2CC[NH2+]C2)C1 665241164 409858225 /nfs/dbraw/zinc/85/82/25/409858225.db2.gz AZTGQZOHLIXMHQ-TUAOUCFPSA-N 2 1 194.322 1.517 20 0 ADADMP CCCCC[NH2+][C@](C)(C[NH3+])C1CC1 379624175 409859448 /nfs/dbraw/zinc/85/94/48/409859448.db2.gz IQWJZHTVOUHMHO-LLVKDONJSA-N 2 1 184.327 1.894 20 0 ADADMP CCCCC[NH2+][C@@](C)(C[NH3+])C1CC1 379624176 409859743 /nfs/dbraw/zinc/85/97/43/409859743.db2.gz IQWJZHTVOUHMHO-NSHDSACASA-N 2 1 184.327 1.894 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@H]1C 379646684 409862540 /nfs/dbraw/zinc/86/25/40/409862540.db2.gz YSMUAINLUORNAQ-DCAQKATOSA-N 2 1 182.311 1.326 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@H]1C 379646682 409863263 /nfs/dbraw/zinc/86/32/63/409863263.db2.gz YSMUAINLUORNAQ-AXFHLTTASA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]([NH2+][C@@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]1 665276003 409863702 /nfs/dbraw/zinc/86/37/02/409863702.db2.gz WSVKHQSWFSVVHZ-NHCYSSNCSA-N 2 1 196.338 1.905 20 0 ADADMP CC(C)CC[NH2+][C@@](C)(C[NH3+])C1CC1 379659492 409863891 /nfs/dbraw/zinc/86/38/91/409863891.db2.gz OKBNIGUEHCFGOZ-NSHDSACASA-N 2 1 184.327 1.750 20 0 ADADMP C[C@H]([NH2+]CC1=CCCC1)[C@H]1CCC[NH2+]1 665273782 409864048 /nfs/dbraw/zinc/86/40/48/409864048.db2.gz DFVFBGNRZIDRLK-CMPLNLGQSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H]([NH2+]CC1=CCCC1)[C@H]1CCC[NH2+]1 665273785 409864401 /nfs/dbraw/zinc/86/44/01/409864401.db2.gz DFVFBGNRZIDRLK-ZYHUDNBSSA-N 2 1 194.322 1.827 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@H]1C 379646691 409864517 /nfs/dbraw/zinc/86/45/17/409864517.db2.gz YSMUAINLUORNAQ-MXWKQRLJSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]([NH2+][C@@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]1 665276004 409864579 /nfs/dbraw/zinc/86/45/79/409864579.db2.gz WSVKHQSWFSVVHZ-SCVCMEIPSA-N 2 1 196.338 1.905 20 0 ADADMP CC(C)CC[NH2+][C@](C)(C[NH3+])C1CC1 379659487 409864774 /nfs/dbraw/zinc/86/47/74/409864774.db2.gz OKBNIGUEHCFGOZ-LLVKDONJSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]([NH2+][C@@]1(C)CC1(C)C)[C@H]1CCC[NH2+]1 665275999 409864819 /nfs/dbraw/zinc/86/48/19/409864819.db2.gz WSVKHQSWFSVVHZ-FOGDFJRCSA-N 2 1 196.338 1.905 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]1C 379646695 409864880 /nfs/dbraw/zinc/86/48/80/409864880.db2.gz YSMUAINLUORNAQ-VWYCJHECSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]([NH2+][C@]1(C)CC1(C)C)[C@@H]1CCC[NH2+]1 665276002 409865148 /nfs/dbraw/zinc/86/51/48/409865148.db2.gz WSVKHQSWFSVVHZ-JFGNBEQYSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH2+][C@]1(C)CC1(C)C)[C@H]1CCC[NH2+]1 665276000 409865547 /nfs/dbraw/zinc/86/55/47/409865547.db2.gz WSVKHQSWFSVVHZ-HOSYDEDBSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]1 665273783 409865783 /nfs/dbraw/zinc/86/57/83/409865783.db2.gz DFVFBGNRZIDRLK-JQWIXIFHSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H]([NH2+][C@]1(C)CC1(C)C)[C@H]1CCC[NH2+]1 665275998 409865950 /nfs/dbraw/zinc/86/59/50/409865950.db2.gz WSVKHQSWFSVVHZ-CKYFFXLPSA-N 2 1 196.338 1.905 20 0 ADADMP C[C@@H]([NH2+]CC1=CCCC1)[C@@H]1CCC[NH2+]1 665273784 409866206 /nfs/dbraw/zinc/86/62/06/409866206.db2.gz DFVFBGNRZIDRLK-PWSUYJOCSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@H]([NH2+][C@@]1(C)CC1(C)C)[C@H]1CCC[NH2+]1 665276005 409866253 /nfs/dbraw/zinc/86/62/53/409866253.db2.gz WSVKHQSWFSVVHZ-UMNHJUIQSA-N 2 1 196.338 1.905 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C(C)C 665293825 409867863 /nfs/dbraw/zinc/86/78/63/409867863.db2.gz DINVKNPIZNQXAU-VHSXEESVSA-N 2 1 172.316 1.619 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)C(C)C 665293826 409868040 /nfs/dbraw/zinc/86/80/40/409868040.db2.gz DINVKNPIZNQXAU-ZJUUUORDSA-N 2 1 172.316 1.619 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] 380008447 409868687 /nfs/dbraw/zinc/86/86/87/409868687.db2.gz LPIPBXKGQLEUII-UTUOFQBUSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(C)CC2)C1 379996218 409868937 /nfs/dbraw/zinc/86/89/37/409868937.db2.gz JNNVQNLDWPKPIA-NSHDSACASA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] 380008048 409869552 /nfs/dbraw/zinc/86/95/52/409869552.db2.gz LPIPBXKGQLEUII-GRYCIOLGSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)C(C)C 665293823 409869596 /nfs/dbraw/zinc/86/95/96/409869596.db2.gz DINVKNPIZNQXAU-NXEZZACHSA-N 2 1 172.316 1.619 20 0 ADADMP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]1CC[NH3+] 380008442 409869678 /nfs/dbraw/zinc/86/96/78/409869678.db2.gz LPIPBXKGQLEUII-IJLUTSLNSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)C(C)C 665293824 409870359 /nfs/dbraw/zinc/87/03/59/409870359.db2.gz DINVKNPIZNQXAU-UWVGGRQHSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@H]1CCC[N@@H+](CC2(C)CC2)C1 379996214 409870393 /nfs/dbraw/zinc/87/03/93/409870393.db2.gz JNNVQNLDWPKPIA-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]1CC[NH3+] 380008454 409870877 /nfs/dbraw/zinc/87/08/77/409870877.db2.gz LPIPBXKGQLEUII-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)C(C)(C)C 665295998 409871492 /nfs/dbraw/zinc/87/14/92/409871492.db2.gz LMMKABFMDJGIOO-IUCAKERBSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C(C1CC1)C1CC1 665295516 409871535 /nfs/dbraw/zinc/87/15/35/409871535.db2.gz FMIZODODISYLAP-MRVPVSSYSA-N 2 1 182.311 1.373 20 0 ADADMP C[N@@H+](CCC[NH3+])Cc1cccc(N)c1 380113150 409871748 /nfs/dbraw/zinc/87/17/48/409871748.db2.gz OSVCXAPWUMVQDJ-UHFFFAOYSA-N 2 1 193.294 1.049 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH2+]C 665297369 409871828 /nfs/dbraw/zinc/87/18/28/409871828.db2.gz DVBPSDSKNAOIMI-IVZWLZJFSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH2+]C 665295885 409871902 /nfs/dbraw/zinc/87/19/02/409871902.db2.gz KXPAGMJZSNOJAS-MXWKQRLJSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)C(C)(C)C 665296001 409871921 /nfs/dbraw/zinc/87/19/21/409871921.db2.gz LMMKABFMDJGIOO-RKDXNWHRSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C(C)C)C1CC1 665295644 409871971 /nfs/dbraw/zinc/87/19/71/409871971.db2.gz GWCHWLFPTGBAOF-MWLCHTKSSA-N 2 1 184.327 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C(C1CC1)C1CC1 665295517 409872107 /nfs/dbraw/zinc/87/21/07/409872107.db2.gz FMIZODODISYLAP-QMMMGPOBSA-N 2 1 182.311 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1 665295643 409872176 /nfs/dbraw/zinc/87/21/76/409872176.db2.gz GWCHWLFPTGBAOF-KOLCDFICSA-N 2 1 184.327 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)C(C)(C)C 665295997 409872302 /nfs/dbraw/zinc/87/23/02/409872302.db2.gz LMMKABFMDJGIOO-DTWKUNHWSA-N 2 1 172.316 1.619 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH2+]C 665297368 409872400 /nfs/dbraw/zinc/87/24/00/409872400.db2.gz DVBPSDSKNAOIMI-BBBLOLIVSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+]C1CCC2(CC1)CC2 665297523 409872449 /nfs/dbraw/zinc/87/24/49/409872449.db2.gz HRDRCLTZSGZDPH-JTQLQIEISA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1CC1 665296676 409872522 /nfs/dbraw/zinc/87/25/22/409872522.db2.gz WETDWEVLTUMSMT-WPRPVWTQSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH2+]C 665297370 409872742 /nfs/dbraw/zinc/87/27/42/409872742.db2.gz DVBPSDSKNAOIMI-OPRDCNLKSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH2+]C 665295883 409872757 /nfs/dbraw/zinc/87/27/57/409872757.db2.gz KXPAGMJZSNOJAS-GMTAPVOTSA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1CC1 665296675 409872792 /nfs/dbraw/zinc/87/27/92/409872792.db2.gz WETDWEVLTUMSMT-WCBMZHEXSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+]C1CCC2(CC1)CC2 665297524 409872887 /nfs/dbraw/zinc/87/28/87/409872887.db2.gz HRDRCLTZSGZDPH-SNVBAGLBSA-N 2 1 196.338 1.907 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH2+]C 665295884 409873265 /nfs/dbraw/zinc/87/32/65/409873265.db2.gz KXPAGMJZSNOJAS-HBNTYKKESA-N 2 1 184.327 1.763 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1CC1 665296673 409873290 /nfs/dbraw/zinc/87/32/90/409873290.db2.gz WETDWEVLTUMSMT-PSASIEDQSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH2+]C 665297367 409873468 /nfs/dbraw/zinc/87/34/68/409873468.db2.gz DVBPSDSKNAOIMI-AEJSXWLSSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH2+]C 665295882 409873599 /nfs/dbraw/zinc/87/35/99/409873599.db2.gz KXPAGMJZSNOJAS-AXFHLTTASA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H](C(C)C)C1CC1 665295642 409873678 /nfs/dbraw/zinc/87/36/78/409873678.db2.gz GWCHWLFPTGBAOF-GXSJLCMTSA-N 2 1 184.327 1.619 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)C1CC1 665296674 409873726 /nfs/dbraw/zinc/87/37/26/409873726.db2.gz WETDWEVLTUMSMT-SCZZXKLOSA-N 2 1 170.300 1.373 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C(C)C)C1CC1 665295645 409873747 /nfs/dbraw/zinc/87/37/47/409873747.db2.gz GWCHWLFPTGBAOF-ONGXEEELSA-N 2 1 184.327 1.619 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)C(C)(C)C 665295996 409873783 /nfs/dbraw/zinc/87/37/83/409873783.db2.gz LMMKABFMDJGIOO-BDAKNGLRSA-N 2 1 172.316 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC1(C)C 665298167 409874958 /nfs/dbraw/zinc/87/49/58/409874958.db2.gz SWKJJXTUDULYIJ-IUCAKERBSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)C1CCC1 665298679 409875264 /nfs/dbraw/zinc/87/52/64/409875264.db2.gz ZVAVUFJQKGHNFM-GXSJLCMTSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCC1(C)C 665298168 409875489 /nfs/dbraw/zinc/87/54/89/409875489.db2.gz SWKJJXTUDULYIJ-RKDXNWHRSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)C1CCC1 665298682 409875519 /nfs/dbraw/zinc/87/55/19/409875519.db2.gz ZVAVUFJQKGHNFM-ONGXEEELSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@](C[NH3+])([NH2+]CC1CCCC1)C1CC1 380268048 409875522 /nfs/dbraw/zinc/87/55/22/409875522.db2.gz UYZCNMARJMUIMK-GFCCVEGCSA-N 2 1 196.338 1.894 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)C1CCC1 665298680 409875617 /nfs/dbraw/zinc/87/56/17/409875617.db2.gz ZVAVUFJQKGHNFM-KOLCDFICSA-N 2 1 184.327 1.763 20 0 ADADMP C[C@@](C[NH3+])([NH2+]CC1CCCC1)C1CC1 380268049 409875643 /nfs/dbraw/zinc/87/56/43/409875643.db2.gz UYZCNMARJMUIMK-LBPRGKRZSA-N 2 1 196.338 1.894 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@@H]1C[C@H]1C 665300047 409875913 /nfs/dbraw/zinc/87/59/13/409875913.db2.gz XKULBCBQXZGKQJ-DBIOUOCHSA-N 2 1 184.327 1.619 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@H]1C[C@H]1C 665300050 409876009 /nfs/dbraw/zinc/87/60/09/409876009.db2.gz XKULBCBQXZGKQJ-ZNSHCXBVSA-N 2 1 184.327 1.619 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@@H]1C[C@@H]1C 665300049 409876265 /nfs/dbraw/zinc/87/62/65/409876265.db2.gz XKULBCBQXZGKQJ-ZDCRXTMVSA-N 2 1 184.327 1.619 20 0 ADADMP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC1(C)C 665298166 409876582 /nfs/dbraw/zinc/87/65/82/409876582.db2.gz SWKJJXTUDULYIJ-DTWKUNHWSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)C1CCC1 665298681 409876700 /nfs/dbraw/zinc/87/67/00/409876700.db2.gz ZVAVUFJQKGHNFM-MWLCHTKSSA-N 2 1 184.327 1.763 20 0 ADADMP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCC1(C)C 665298165 409877180 /nfs/dbraw/zinc/87/71/80/409877180.db2.gz SWKJJXTUDULYIJ-BDAKNGLRSA-N 2 1 170.300 1.373 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH2+]C)[C@H]1C[C@@H]1C 665300048 409876993 /nfs/dbraw/zinc/87/69/93/409876993.db2.gz XKULBCBQXZGKQJ-VLEAKVRGSA-N 2 1 184.327 1.619 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@H]1C 380750905 409878633 /nfs/dbraw/zinc/87/86/33/409878633.db2.gz NCESVLDZMJAARR-NXEZZACHSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@@H]1C 380750907 409879200 /nfs/dbraw/zinc/87/92/00/409879200.db2.gz NCESVLDZMJAARR-UWVGGRQHSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@@H](C)[C@@H]1C 380750909 409879269 /nfs/dbraw/zinc/87/92/69/409879269.db2.gz NCESVLDZMJAARR-ZJUUUORDSA-N 2 1 170.300 1.326 20 0 ADADMP C[NH2+]CCC[N@H+]1CC[C@H](C)[C@H]1C 380750908 409879883 /nfs/dbraw/zinc/87/98/83/409879883.db2.gz NCESVLDZMJAARR-VHSXEESVSA-N 2 1 170.300 1.326 20 0 ADADMP COCCCCC[N@@H+](C)CCC[NH3+] 381629063 409884706 /nfs/dbraw/zinc/88/47/06/409884706.db2.gz MLWGXCSVASQLHR-UHFFFAOYSA-N 2 1 188.315 1.084 20 0 ADADMP C[N@@H+](CCC[NH3+])CC1(C)CC1 381978335 409885111 /nfs/dbraw/zinc/88/51/11/409885111.db2.gz FPUNYQHMXSYESI-UHFFFAOYSA-N 2 1 156.273 1.067 20 0 ADADMP CC[C@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 382780883 409907131 /nfs/dbraw/zinc/90/71/31/409907131.db2.gz GNGBFADNPCCEEM-KOLCDFICSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)OCCC[N@H+](C)[C@@H](C)C[NH3+] 382861364 409907394 /nfs/dbraw/zinc/90/73/94/409907394.db2.gz MRRTWCDNOHFTRC-JTQLQIEISA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@@H+](C)[C@@H](C)C[NH3+] 382861364 409907398 /nfs/dbraw/zinc/90/73/98/409907398.db2.gz MRRTWCDNOHFTRC-JTQLQIEISA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@H+](C)[C@H](C)C[NH3+] 382861365 409907469 /nfs/dbraw/zinc/90/74/69/409907469.db2.gz MRRTWCDNOHFTRC-SNVBAGLBSA-N 2 1 188.315 1.081 20 0 ADADMP CC(C)OCCC[N@@H+](C)[C@H](C)C[NH3+] 382861365 409907479 /nfs/dbraw/zinc/90/74/79/409907479.db2.gz MRRTWCDNOHFTRC-SNVBAGLBSA-N 2 1 188.315 1.081 20 0 ADADMP CC[C@@H]([NH2+][C@H](C)C[NH3+])C1CCCC1 382780884 409908196 /nfs/dbraw/zinc/90/81/96/409908196.db2.gz GNGBFADNPCCEEM-MWLCHTKSSA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@H]1[C@H](C)CC[N@H+]1CCC[NH2+]C 384128409 409909827 /nfs/dbraw/zinc/90/98/27/409909827.db2.gz QADBATIMCCOGQB-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CCC[NH2+]C 384128413 409910400 /nfs/dbraw/zinc/91/04/00/409910400.db2.gz QADBATIMCCOGQB-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H]1[C@H](C)CC[N@H+]1CCC[NH2+]C 384128408 409910452 /nfs/dbraw/zinc/91/04/52/409910452.db2.gz QADBATIMCCOGQB-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP C[C@@H]([NH2+]CCCF)[C@@H]1CCCC[NH2+]1 386477266 409937828 /nfs/dbraw/zinc/93/78/28/409937828.db2.gz RKUOMFLNATZJEW-ZJUUUORDSA-N 2 1 188.290 1.466 20 0 ADADMP CC(C)CCC[N@@H+](C)C1CC([NH3+])C1 384755598 409912562 /nfs/dbraw/zinc/91/25/62/409912562.db2.gz PBOCAJAJBOFJNA-UHFFFAOYSA-N 2 1 184.327 1.844 20 0 ADADMP CCC(CC)C[N@@H+](C)C1CC([NH3+])C1 384760499 409914474 /nfs/dbraw/zinc/91/44/74/409914474.db2.gz QAJQOHORIRDBDR-UHFFFAOYSA-N 2 1 184.327 1.844 20 0 ADADMP C[N@@H+](CCC1CCCC1)C1CC([NH3+])C1 384920285 409918659 /nfs/dbraw/zinc/91/86/59/409918659.db2.gz ZREWBIAFVWUOQR-UHFFFAOYSA-N 2 1 196.338 1.988 20 0 ADADMP C[N@@H+](CCCCCF)C1CC([NH3+])C1 384912371 409920172 /nfs/dbraw/zinc/92/01/72/409920172.db2.gz YROXZQOLRGRMMK-UHFFFAOYSA-N 2 1 188.290 1.548 20 0 ADADMP CC/C=C/C[NH2+]C1CC[NH+](C)CC1 385265755 409928573 /nfs/dbraw/zinc/92/85/73/409928573.db2.gz ZCUOWKNNYXTJBH-SNAWJCMRSA-N 2 1 182.311 1.636 20 0 ADADMP CC/C=C\C[NH2+]C1CC[NH+](C)CC1 385265749 409928651 /nfs/dbraw/zinc/92/86/51/409928651.db2.gz ZCUOWKNNYXTJBH-PLNGDYQASA-N 2 1 182.311 1.636 20 0 ADADMP C[C@@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)C1(C)CC1 385536375 409929770 /nfs/dbraw/zinc/92/97/70/409929770.db2.gz BRYPTCWLYIGCBX-GHMZBOCLSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)C1(C)CC1 385536379 409929980 /nfs/dbraw/zinc/92/99/80/409929980.db2.gz BRYPTCWLYIGCBX-QWRGUYRKSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]([N@@H+](C)C[C@H]1CC[NH2+]C1)C1(C)CC1 385536377 409930371 /nfs/dbraw/zinc/93/03/71/409930371.db2.gz BRYPTCWLYIGCBX-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([N@@H+](C)C[C@@H]1CC[NH2+]C1)C1(C)CC1 385536383 409931146 /nfs/dbraw/zinc/93/11/46/409931146.db2.gz BRYPTCWLYIGCBX-WDEREUQCSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@H]([NH2+]CCCF)[C@@H]1CCCC[NH2+]1 386477264 409938070 /nfs/dbraw/zinc/93/80/70/409938070.db2.gz RKUOMFLNATZJEW-UWVGGRQHSA-N 2 1 188.290 1.466 20 0 ADADMP C[C@H]([NH2+]CCCF)[C@H]1CCCC[NH2+]1 386477265 409938140 /nfs/dbraw/zinc/93/81/40/409938140.db2.gz RKUOMFLNATZJEW-VHSXEESVSA-N 2 1 188.290 1.466 20 0 ADADMP C[C@@H]([NH2+]CCCF)[C@H]1CCCC[NH2+]1 386477263 409938539 /nfs/dbraw/zinc/93/85/39/409938539.db2.gz RKUOMFLNATZJEW-NXEZZACHSA-N 2 1 188.290 1.466 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])C1CCCC1 387407438 409942889 /nfs/dbraw/zinc/94/28/89/409942889.db2.gz BYOOZFIMMOYUTN-SNVBAGLBSA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])C1CCCC1 387407437 409944585 /nfs/dbraw/zinc/94/45/85/409944585.db2.gz BYOOZFIMMOYUTN-JTQLQIEISA-N 2 1 170.300 1.504 20 0 ADADMP CC[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](C)CC1 387717359 409945714 /nfs/dbraw/zinc/94/57/14/409945714.db2.gz OFQKPWZVDQIBJU-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP [NH3+]CC[NH2+]C(C1CCC1)C1CCC1 388215317 409949785 /nfs/dbraw/zinc/94/97/85/409949785.db2.gz YBXQSVVBITXIQB-UHFFFAOYSA-N 2 1 182.311 1.504 20 0 ADADMP CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C[NH3+] 388846466 409962378 /nfs/dbraw/zinc/96/23/78/409962378.db2.gz ZOEXQZSCWCHPJB-OPRDCNLKSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C[NH3+] 388846447 409963364 /nfs/dbraw/zinc/96/33/64/409963364.db2.gz ZOEXQZSCWCHPJB-BBBLOLIVSA-N 2 1 170.300 1.502 20 0 ADADMP C[NH2+]CCC[N@@H+](C(C)C)C1CCC1 388969463 409964951 /nfs/dbraw/zinc/96/49/51/409964951.db2.gz JJLPWFCLAXOYCB-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP CC(C)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 389252325 409967796 /nfs/dbraw/zinc/96/77/96/409967796.db2.gz DYGIZWSVGBBVOC-JTQLQIEISA-N 2 1 182.311 1.469 20 0 ADADMP CC[C@@H]([NH2+]CC[NH3+])c1cccc(C)c1 389269678 409967933 /nfs/dbraw/zinc/96/79/33/409967933.db2.gz LDTWLYSJKJAKAV-GFCCVEGCSA-N 2 1 192.306 1.994 20 0 ADADMP CC[C@H]([NH2+]CC[NH3+])c1cccc(C)c1 389269692 409967998 /nfs/dbraw/zinc/96/79/98/409967998.db2.gz LDTWLYSJKJAKAV-LBPRGKRZSA-N 2 1 192.306 1.994 20 0 ADADMP CC(C)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 389252326 409968128 /nfs/dbraw/zinc/96/81/28/409968128.db2.gz DYGIZWSVGBBVOC-SNVBAGLBSA-N 2 1 182.311 1.469 20 0 ADADMP CC[NH2+]CC[NH2+][C@@H]1CCC1(C)C 393346957 409981158 /nfs/dbraw/zinc/98/11/58/409981158.db2.gz IBLUBPAHGOUFJK-SECBINFHSA-N 2 1 170.300 1.374 20 0 ADADMP CC[NH2+]CC[NH2+][C@H]1CCC1(C)C 393346960 409982710 /nfs/dbraw/zinc/98/27/10/409982710.db2.gz IBLUBPAHGOUFJK-VIFPVBQESA-N 2 1 170.300 1.374 20 0 ADADMP CCCc1[nH+]ccn1CC1C[NH2+]C1 393560849 409988057 /nfs/dbraw/zinc/98/80/57/409988057.db2.gz AQMAXCYTHMCHEN-UHFFFAOYSA-N 2 1 179.267 1.055 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+]CC[NH2+]C1CC1 398067254 410019823 /nfs/dbraw/zinc/01/98/23/410019823.db2.gz HTJBQAXGPFNUIW-JTQLQIEISA-N 2 1 196.338 1.907 20 0 ADADMP C[C@H](CCC1CC1)[NH2+]CC[NH3+] 398085504 410020986 /nfs/dbraw/zinc/02/09/86/410020986.db2.gz NPCLDHRMOUEZDW-MRVPVSSYSA-N 2 1 156.273 1.113 20 0 ADADMP C[C@H](CCC1CC1)[NH2+]CC[NH2+]C1CC1 398067258 410021260 /nfs/dbraw/zinc/02/12/60/410021260.db2.gz HTJBQAXGPFNUIW-SNVBAGLBSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](CCC1CC1)[NH2+]CC[NH3+] 398085505 410021674 /nfs/dbraw/zinc/02/16/74/410021674.db2.gz NPCLDHRMOUEZDW-QMMMGPOBSA-N 2 1 156.273 1.113 20 0 ADADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CCC[NH2+]C 399323209 410026292 /nfs/dbraw/zinc/02/62/92/410026292.db2.gz RAKLSFDBQNOVOM-GHMZBOCLSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCC[NH2+]C 399323212 410026672 /nfs/dbraw/zinc/02/66/72/410026672.db2.gz RAKLSFDBQNOVOM-WDEREUQCSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H]1C[C@@H](C)C[N@H+]1CCC[NH2+]C 399323210 410026855 /nfs/dbraw/zinc/02/68/55/410026855.db2.gz RAKLSFDBQNOVOM-MNOVXSKESA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@H]1C[C@H](C)C[N@H+]1CCC[NH2+]C 399323211 410027667 /nfs/dbraw/zinc/02/76/67/410027667.db2.gz RAKLSFDBQNOVOM-QWRGUYRKSA-N 2 1 184.327 1.716 20 0 ADADMP CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 402826384 410036210 /nfs/dbraw/zinc/03/62/10/410036210.db2.gz HFDMQTMUIJNQPH-WOPDTQHZSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404403344 410041761 /nfs/dbraw/zinc/04/17/61/410041761.db2.gz SSNQMQSUSUYWHP-WDEREUQCSA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404383329 410041794 /nfs/dbraw/zinc/04/17/94/410041794.db2.gz NIVPLUKNOJWUFX-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1CCC[N@@H+](CC2CC2)[C@@H]1CC[NH3+] 404369524 410041987 /nfs/dbraw/zinc/04/19/87/410041987.db2.gz IIWFUSJTTPTTSD-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404403341 410042003 /nfs/dbraw/zinc/04/20/03/410042003.db2.gz SSNQMQSUSUYWHP-QWRGUYRKSA-N 2 1 184.327 1.846 20 0 ADADMP CCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404403339 410042206 /nfs/dbraw/zinc/04/22/06/410042206.db2.gz SSNQMQSUSUYWHP-GHMZBOCLSA-N 2 1 184.327 1.846 20 0 ADADMP CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] 404383326 410042335 /nfs/dbraw/zinc/04/23/35/410042335.db2.gz NIVPLUKNOJWUFX-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] 404383322 410042362 /nfs/dbraw/zinc/04/23/62/410042362.db2.gz NIVPLUKNOJWUFX-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@@H]1CCC[N@@H+](CC2CC2)[C@H]1CC[NH3+] 404369522 410042506 /nfs/dbraw/zinc/04/25/06/410042506.db2.gz IIWFUSJTTPTTSD-PWSUYJOCSA-N 2 1 196.338 1.846 20 0 ADADMP CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] 404383325 410042561 /nfs/dbraw/zinc/04/25/61/410042561.db2.gz NIVPLUKNOJWUFX-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP C[C@H]1CCC[N@@H+](CC2CC2)[C@@H]1CC[NH3+] 404369515 410042631 /nfs/dbraw/zinc/04/26/31/410042631.db2.gz IIWFUSJTTPTTSD-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP CCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] 404403340 410042865 /nfs/dbraw/zinc/04/28/65/410042865.db2.gz SSNQMQSUSUYWHP-MNOVXSKESA-N 2 1 184.327 1.846 20 0 ADADMP C[C@H]1CCC[N@@H+](CC2CC2)[C@H]1CC[NH3+] 404369518 410042840 /nfs/dbraw/zinc/04/28/40/410042840.db2.gz IIWFUSJTTPTTSD-JQWIXIFHSA-N 2 1 196.338 1.846 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@]2(C)C1 536953325 410049453 /nfs/dbraw/zinc/04/94/53/410049453.db2.gz HDDKEPQSYWUAAS-DCAQKATOSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 536953326 410049955 /nfs/dbraw/zinc/04/99/55/410049955.db2.gz HDDKEPQSYWUAAS-GARJFASQSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@]2(C)C1 536953327 410050027 /nfs/dbraw/zinc/05/00/27/410050027.db2.gz HDDKEPQSYWUAAS-HBNTYKKESA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@@]2(C)C1 536953319 410050066 /nfs/dbraw/zinc/05/00/66/410050066.db2.gz HDDKEPQSYWUAAS-AXFHLTTASA-N 2 1 182.311 1.326 20 0 ADADMP CCC1([N@@H+](C)C(C)C)CC[NH2+]CC1 536953150 410050102 /nfs/dbraw/zinc/05/01/02/410050102.db2.gz HWAAIDGINUCWRS-UHFFFAOYSA-N 2 1 184.327 1.859 20 0 ADADMP Cc1cc(N)[nH+]cc1C1=CC[NH2+]CC1 629723202 410147944 /nfs/dbraw/zinc/14/79/44/410147944.db2.gz JRMCREYGSAEPRY-UHFFFAOYSA-N 2 1 189.262 1.349 20 0 ADADMP Cc1[nH+]c(N)ccc1C1=CC[NH2+]CC1 629723207 410148446 /nfs/dbraw/zinc/14/84/46/410148446.db2.gz JWWPJVVFTNMADX-UHFFFAOYSA-N 2 1 189.262 1.349 20 0 ADADMP F[C@H]1CC[N@@H+](CCCn2ccnc2)C1 649940276 410247496 /nfs/dbraw/zinc/24/74/96/410247496.db2.gz XKCLYKXLMCXOEV-JTQLQIEISA-N 2 1 197.257 1.317 20 0 ADADMP Cc1cccc(C[NH2+]CC2([NH3+])CC2)c1 259038566 573225434 /nfs/dbraw/zinc/22/54/34/573225434.db2.gz IUNBKUWAEQBIIP-UHFFFAOYSA-N 2 1 190.290 1.576 20 0 ADADMP CCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 50245196 573334891 /nfs/dbraw/zinc/33/48/91/573334891.db2.gz PRABBXJNYWPGCS-NSHDSACASA-N 2 1 184.327 1.847 20 0 ADADMP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C(C)(C)C 107273841 573470227 /nfs/dbraw/zinc/47/02/27/573470227.db2.gz CEMLQJBQRDBBKU-HTQZYQBOSA-N 2 1 156.273 1.064 20 0 ADADMP C[N@H+]1CC[C@H]([NH3+])[C@@H]1C(C)(C)C 107273846 573470337 /nfs/dbraw/zinc/47/03/37/573470337.db2.gz CEMLQJBQRDBBKU-JGVFFNPUSA-N 2 1 156.273 1.064 20 0 ADADMP C[C@H]([NH3+])C[N@@H+](C)CCC1CCCC1 258808817 573590746 /nfs/dbraw/zinc/59/07/46/573590746.db2.gz SDVUZIHENXPBLA-JTQLQIEISA-N 2 1 184.327 1.846 20 0 ADADMP CS[C@H]1CC[C@@H]([N@H+](C)CC[NH3+])C1 393540785 573602252 /nfs/dbraw/zinc/60/22/52/573602252.db2.gz XSXJYGLQZSKHAU-BDAKNGLRSA-N 2 1 188.340 1.161 20 0 ADADMP CS[C@H]1CC[C@@H]([N@@H+](C)CC[NH3+])C1 393540785 573602262 /nfs/dbraw/zinc/60/22/62/573602262.db2.gz XSXJYGLQZSKHAU-BDAKNGLRSA-N 2 1 188.340 1.161 20 0 ADADMP [NH3+]C1(C[NH2+]Cc2cccs2)CC1 83836931 573679648 /nfs/dbraw/zinc/67/96/48/573679648.db2.gz SUSMBLGSFYLNRG-UHFFFAOYSA-N 2 1 182.292 1.329 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccoc1 130802021 573714388 /nfs/dbraw/zinc/71/43/88/573714388.db2.gz BGAMZNQSVROWIR-KOLCDFICSA-N 2 1 194.278 1.225 20 0 ADADMP C[N@@H+](CCCCCC[NH3+])C1CCC1 127505360 573891142 /nfs/dbraw/zinc/89/11/42/573891142.db2.gz FVRFKEYHERGJDA-UHFFFAOYSA-N 2 1 184.327 1.990 20 0 ADADMP CC(C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C 107220497 517444145 /nfs/dbraw/zinc/44/41/45/517444145.db2.gz KYDKABHPNOSOMX-IUCAKERBSA-N 2 1 156.273 1.064 20 0 ADADMP [NH3+]C[C@H]1CCC[N@@H+](CCCF)C1 88024289 630747674 /nfs/dbraw/zinc/74/76/74/630747674.db2.gz XUBUSNUBSBOLSB-SECBINFHSA-N 2 1 174.263 1.017 20 0 ADADMP CC(C)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219776828 519731096 /nfs/dbraw/zinc/73/10/96/519731096.db2.gz HVWAXJHBNCJGAE-VHSXEESVSA-N 2 1 170.300 1.312 20 0 ADADMP CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219778321 519862281 /nfs/dbraw/zinc/86/22/81/519862281.db2.gz ILEQXCVFSIUHIA-DTWKUNHWSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219778401 519863657 /nfs/dbraw/zinc/86/36/57/519863657.db2.gz ILEQXCVFSIUHIA-IUCAKERBSA-N 2 1 156.273 1.066 20 0 ADADMP CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 219746320 520023091 /nfs/dbraw/zinc/02/30/91/520023091.db2.gz MEBDFQGZMLVPDO-VHSXEESVSA-N 2 1 170.300 1.469 20 0 ADADMP CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 219746388 520093981 /nfs/dbraw/zinc/09/39/81/520093981.db2.gz MEBDFQGZMLVPDO-UWVGGRQHSA-N 2 1 170.300 1.469 20 0 ADADMP CC1(C)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 87255217 520379098 /nfs/dbraw/zinc/37/90/98/520379098.db2.gz YCYJFUREJODFKD-LLVKDONJSA-N 2 1 196.338 1.718 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 219749347 520595724 /nfs/dbraw/zinc/59/57/24/520595724.db2.gz HZSJBLJADQQQON-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 219749421 520595844 /nfs/dbraw/zinc/59/58/44/520595844.db2.gz HZSJBLJADQQQON-UWVGGRQHSA-N 2 1 170.300 1.456 20 0 ADADMP CCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 242390325 520596858 /nfs/dbraw/zinc/59/68/58/520596858.db2.gz AKXOAWYTFGSQOM-NXEZZACHSA-N 2 1 170.300 1.598 20 0 ADADMP CCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C 242390326 520597206 /nfs/dbraw/zinc/59/72/06/520597206.db2.gz AKXOAWYTFGSQOM-ZJUUUORDSA-N 2 1 170.300 1.598 20 0 ADADMP CCCC[C@@H](C)[NH2+][C@@H](C)C[NH3+] 300024678 629655118 /nfs/dbraw/zinc/65/51/18/629655118.db2.gz NNFSXIONFWGSCC-BDAKNGLRSA-N 2 1 158.289 1.502 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C 306610959 629664907 /nfs/dbraw/zinc/66/49/07/629664907.db2.gz BWUZHWWWFPEAJK-WISYIIOYSA-N 2 1 196.338 1.844 20 0 ADADMP C1C[NH2+][C@@H](C[N@@H+]2[C@H]3CCC[C@@H]2CC3)C1 306659208 629665267 /nfs/dbraw/zinc/66/52/67/629665267.db2.gz LEOWXFWNEUSIEB-UTUOFQBUSA-N 2 1 194.322 1.755 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C 306610960 629667048 /nfs/dbraw/zinc/66/70/48/629667048.db2.gz BWUZHWWWFPEAJK-WYUUTHIRSA-N 2 1 196.338 1.844 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 306637134 629667488 /nfs/dbraw/zinc/66/74/88/629667488.db2.gz MEKZXCPHQHBHNY-WYUUTHIRSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H]([NH3+])C1 306739601 629674453 /nfs/dbraw/zinc/67/44/53/629674453.db2.gz AXARLOKEXJBFQU-VWYCJHECSA-N 2 1 182.311 1.456 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 306739598 629675357 /nfs/dbraw/zinc/67/53/57/629675357.db2.gz AXARLOKEXJBFQU-OUAUKWLOSA-N 2 1 182.311 1.456 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC1(C)C 306815458 629676676 /nfs/dbraw/zinc/67/66/76/629676676.db2.gz CARJVQZYXZLZDM-HBNTYKKESA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC1(C)C 306815455 629677172 /nfs/dbraw/zinc/67/71/72/629677172.db2.gz CARJVQZYXZLZDM-GARJFASQSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC1(C)C 306815453 629679626 /nfs/dbraw/zinc/67/96/26/629679626.db2.gz CARJVQZYXZLZDM-DCAQKATOSA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC1 306856913 629681122 /nfs/dbraw/zinc/68/11/22/629681122.db2.gz YUGCPZSFEDBMFH-ONGXEEELSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC1 306856912 629683331 /nfs/dbraw/zinc/68/33/31/629683331.db2.gz YUGCPZSFEDBMFH-MWLCHTKSSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCCC1 306859766 629683462 /nfs/dbraw/zinc/68/34/62/629683462.db2.gz DGOMJUUXVIKTFP-ZYHUDNBSSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H](C)c1ccccc1 235133873 629683755 /nfs/dbraw/zinc/68/37/55/629683755.db2.gz QBFHABJQVRKFMZ-MNOVXSKESA-N 2 1 192.306 1.727 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC1 306856911 629683959 /nfs/dbraw/zinc/68/39/59/629683959.db2.gz YUGCPZSFEDBMFH-KOLCDFICSA-N 2 1 182.311 1.517 20 0 ADADMP CC1(C)CC[C@H]1[NH2+]CC1([NH3+])CC1 306364591 629696145 /nfs/dbraw/zinc/69/61/45/629696145.db2.gz ANQLPIOIGPUYMV-MRVPVSSYSA-N 2 1 168.284 1.256 20 0 ADADMP C1C[NH2+][C@@H](C[N@@H+]2CCC3(CCC3)C2)C1 306980873 629712926 /nfs/dbraw/zinc/71/29/26/629712926.db2.gz PUMMAUPQBDXMBM-LLVKDONJSA-N 2 1 194.322 1.614 20 0 ADADMP C1C[NH2+][C@@H](C[N@H+]2CCC3(CCC3)C2)C1 306980873 629712955 /nfs/dbraw/zinc/71/29/55/629712955.db2.gz PUMMAUPQBDXMBM-LLVKDONJSA-N 2 1 194.322 1.614 20 0 ADADMP CC[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C[NH3+] 234050773 629725455 /nfs/dbraw/zinc/72/54/55/629725455.db2.gz CRPNXXCAQASFGR-GARJFASQSA-N 2 1 184.327 1.892 20 0 ADADMP CC(C)CC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 307076475 629741815 /nfs/dbraw/zinc/74/18/15/629741815.db2.gz OLQRILBMQVSPPW-NWDGAFQWSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@H]1C[C@@H](C)[C@@H](C[NH3+])C[N@@H+]1CCF 307183850 629749362 /nfs/dbraw/zinc/74/93/62/629749362.db2.gz AEXTWXQDWMSVHV-UTLUCORTSA-N 2 1 188.290 1.261 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CCF)C[C@H]1C[NH3+] 307183849 629749581 /nfs/dbraw/zinc/74/95/81/629749581.db2.gz AEXTWXQDWMSVHV-OPRDCNLKSA-N 2 1 188.290 1.261 20 0 ADADMP CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1 234069808 629756477 /nfs/dbraw/zinc/75/64/77/629756477.db2.gz MYQMAOIWEKPQHD-DCAQKATOSA-N 2 1 184.327 1.892 20 0 ADADMP [NH3+]CCC[N@H+]1C[C@H]2CC=CC[C@H]2C1 307357864 629763057 /nfs/dbraw/zinc/76/30/57/629763057.db2.gz XMELGJUJOKKHSB-PHIMTYICSA-N 2 1 180.295 1.233 20 0 ADADMP CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 234102341 629769431 /nfs/dbraw/zinc/76/94/31/629769431.db2.gz MYQMAOIWEKPQHD-GARJFASQSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 307560274 629787017 /nfs/dbraw/zinc/78/70/17/629787017.db2.gz HNLBOOOPPMFOGT-WOPDTQHZSA-N 2 1 196.338 1.716 20 0 ADADMP CC(C)C[NH2+]C[C@@H]([NH3+])CC(F)F 308125947 629835953 /nfs/dbraw/zinc/83/59/53/629835953.db2.gz VKRZHAYBCZTKMF-ZETCQYMHSA-N 2 1 180.242 1.215 20 0 ADADMP CCCC[NH2+]C[C@@H]1CCC[N@@H+](C)C1 44534698 629883111 /nfs/dbraw/zinc/88/31/11/629883111.db2.gz KDQDHTVEWVHHDW-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CCCC[NH2+]C[C@H]1CCC[N@@H+](C)C1 44534700 629883280 /nfs/dbraw/zinc/88/32/80/629883280.db2.gz KDQDHTVEWVHHDW-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C 235099925 629889733 /nfs/dbraw/zinc/88/97/33/629889733.db2.gz CIUSGMAPGBFAGF-RCWTZXSCSA-N 2 1 184.327 1.748 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCC[C@@H]1C 235100080 629891161 /nfs/dbraw/zinc/89/11/61/629891161.db2.gz NOSLWXAVDKWRHR-CIUDSAMLSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1C 235099381 629891215 /nfs/dbraw/zinc/89/12/15/629891215.db2.gz WGCCOLLBKPQBQI-GUBZILKMSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@H]1CCCC[C@@H]1C 235136100 629891712 /nfs/dbraw/zinc/89/17/12/629891712.db2.gz LWYLTUGZTVZNHM-GARJFASQSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H](C)C(C)(C)C 235133672 629891968 /nfs/dbraw/zinc/89/19/68/629891968.db2.gz YXIJMJXRSKIKLN-BDAKNGLRSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@H](C)C(C)(C)C 235135435 629892600 /nfs/dbraw/zinc/89/26/00/629892600.db2.gz YXIJMJXRSKIKLN-IUCAKERBSA-N 2 1 172.316 1.605 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C[C@@H]1CCCC[C@@H]1C 235134628 629892622 /nfs/dbraw/zinc/89/26/22/629892622.db2.gz LWYLTUGZTVZNHM-DCAQKATOSA-N 2 1 184.327 1.750 20 0 ADADMP CCCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 34408380 629893060 /nfs/dbraw/zinc/89/30/60/629893060.db2.gz OHEZQHABRLIFLX-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP CCCCCC[N@H+]1CCC[C@@H]([NH3+])C1 34408380 629893066 /nfs/dbraw/zinc/89/30/66/629893066.db2.gz OHEZQHABRLIFLX-LLVKDONJSA-N 2 1 184.327 1.990 20 0 ADADMP C[NH+]1CCC([NH2+]CCC2CCC2)CC1 161864977 629897338 /nfs/dbraw/zinc/89/73/38/629897338.db2.gz FXVFUPGGKIZUPW-UHFFFAOYSA-N 2 1 196.338 1.860 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]CCC1CCCCC1 162017849 629899220 /nfs/dbraw/zinc/89/92/20/629899220.db2.gz QHQYLXITDVFYOC-JTQLQIEISA-N 2 1 184.327 1.894 20 0 ADADMP Cc1ccccc1C[NH2+][C@@H](C)CN 162057341 629899359 /nfs/dbraw/zinc/89/93/59/629899359.db2.gz PRKXTUCYOSUMHM-JTQLQIEISA-N 2 1 178.279 1.432 20 0 ADADMP Cc1ccccc1C[NH2+][C@@H](C)C[NH3+] 162057341 629899361 /nfs/dbraw/zinc/89/93/61/629899361.db2.gz PRKXTUCYOSUMHM-JTQLQIEISA-N 2 1 178.279 1.432 20 0 ADADMP CC(C)CCC[NH2+][C@@H](C)C[NH3+] 162075897 629899877 /nfs/dbraw/zinc/89/98/77/629899877.db2.gz OLONTXQJPFMELL-VIFPVBQESA-N 2 1 158.289 1.359 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)CN)c(C)c1 162036789 629900770 /nfs/dbraw/zinc/90/07/70/629900770.db2.gz JISJKKAXCMAOAC-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])c(C)c1 162036789 629900776 /nfs/dbraw/zinc/90/07/76/629900776.db2.gz JISJKKAXCMAOAC-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP Cc1ccsc1C[NH2+][C@@H](C)C[NH3+] 162073427 629900903 /nfs/dbraw/zinc/90/09/03/629900903.db2.gz UHSLIGHTHFGSIX-QMMMGPOBSA-N 2 1 184.308 1.493 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C 235278020 629911120 /nfs/dbraw/zinc/91/11/20/629911120.db2.gz LAYBGZFFPAPBLX-VPOLOUISSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@@H]1C[N@H+](CCF)CC[C@@H]1[NH3+] 147510695 629916026 /nfs/dbraw/zinc/91/60/26/629916026.db2.gz ATVKCABHTSIWIF-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP CC[C@@H]1C[N@@H+](CCF)CC[C@@H]1[NH3+] 147510695 629916038 /nfs/dbraw/zinc/91/60/38/629916038.db2.gz ATVKCABHTSIWIF-BDAKNGLRSA-N 2 1 174.263 1.015 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@H+](C/C=C/Cl)C1 235391953 629916730 /nfs/dbraw/zinc/91/67/30/629916730.db2.gz NRBYCVCZMSEVSL-LXOKAJLYSA-N 2 1 188.702 1.410 20 0 ADADMP C[C@@]1(C[NH3+])CC[N@@H+](C/C=C/Cl)C1 235391953 629916766 /nfs/dbraw/zinc/91/67/66/629916766.db2.gz NRBYCVCZMSEVSL-LXOKAJLYSA-N 2 1 188.702 1.410 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])s1 162072290 629922591 /nfs/dbraw/zinc/92/25/91/629922591.db2.gz AHAZKOVWCCEOQZ-ZETCQYMHSA-N 2 1 184.308 1.493 20 0 ADADMP Cc1cccc(C[NH2+][C@@H](C)C[NH3+])c1 162074177 629923556 /nfs/dbraw/zinc/92/35/56/629923556.db2.gz HYMKGUKORBJPQM-JTQLQIEISA-N 2 1 178.279 1.432 20 0 ADADMP CC[N@H+](CC[NH2+]CC(C)C)C(C)C 52446645 629935323 /nfs/dbraw/zinc/93/53/23/629935323.db2.gz CPWSBWQVUQIEGS-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP CC[N@@H+](CC[NH2+]CC(C)C)C(C)C 52446645 629935329 /nfs/dbraw/zinc/93/53/29/629935329.db2.gz CPWSBWQVUQIEGS-UHFFFAOYSA-N 2 1 186.343 1.962 20 0 ADADMP COc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1 162083362 629940668 /nfs/dbraw/zinc/94/06/68/629940668.db2.gz SDPKHWCRUIIPCQ-VIFPVBQESA-N 2 1 194.278 1.132 20 0 ADADMP CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 238851156 521596351 /nfs/dbraw/zinc/59/63/51/521596351.db2.gz FLXCSEVIJPITAU-NWDGAFQWSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1 238851157 521603548 /nfs/dbraw/zinc/60/35/48/521603548.db2.gz FLXCSEVIJPITAU-RYUDHWBXSA-N 2 1 196.338 1.860 20 0 ADADMP CC[N@H+]1CCC[C@@H]1[C@H]1CCC[NH2+]1 238854714 521640521 /nfs/dbraw/zinc/64/05/21/521640521.db2.gz OVYCGVYGAZPFRY-NXEZZACHSA-N 2 1 168.284 1.223 20 0 ADADMP CC[N@H+]1CCC[C@H]1[C@H]1CCC[NH2+]1 238854715 521659167 /nfs/dbraw/zinc/65/91/67/521659167.db2.gz OVYCGVYGAZPFRY-ZJUUUORDSA-N 2 1 168.284 1.223 20 0 ADADMP C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 238854959 523794979 /nfs/dbraw/zinc/79/49/79/523794979.db2.gz PWSJAIIKSWLWET-WDEREUQCSA-N 2 1 182.311 1.470 20 0 ADADMP C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]C1 238854958 523800638 /nfs/dbraw/zinc/80/06/38/523800638.db2.gz PWSJAIIKSWLWET-QWRGUYRKSA-N 2 1 182.311 1.470 20 0 ADADMP CCCC[NH2+]CC[N@@H+]1CCC[C@H]1C 53343150 630017794 /nfs/dbraw/zinc/01/77/94/630017794.db2.gz FGDKHGVBBFFZLM-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CCCC[NH2+]CC[N@H+]1CCC[C@H]1C 53343150 630017796 /nfs/dbraw/zinc/01/77/96/630017796.db2.gz FGDKHGVBBFFZLM-LLVKDONJSA-N 2 1 184.327 1.860 20 0 ADADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCF 925620062 630031509 /nfs/dbraw/zinc/03/15/09/630031509.db2.gz SYZYZTUTJOJTDW-QMMMGPOBSA-N 2 1 174.263 1.076 20 0 ADADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCF 925620061 630032101 /nfs/dbraw/zinc/03/21/01/630032101.db2.gz SYZYZTUTJOJTDW-MRVPVSSYSA-N 2 1 174.263 1.076 20 0 ADADMP C[NH+]1CCC([NH2+]C/C=C\Cl)CC1 307950512 630054038 /nfs/dbraw/zinc/05/40/38/630054038.db2.gz SVPVLOCKZHSZND-DJWKRKHSSA-N 2 1 188.702 1.423 20 0 ADADMP [NH3+]CC[C@@H]1CC[N@@H+](CC2CC2)C1 125523122 630067049 /nfs/dbraw/zinc/06/70/49/630067049.db2.gz VIIJYLRPWUGNGI-SNVBAGLBSA-N 2 1 168.284 1.067 20 0 ADADMP CCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 335599421 630075971 /nfs/dbraw/zinc/07/59/71/630075971.db2.gz QZQPODCXTHKVSK-NSHDSACASA-N 2 1 182.311 1.614 20 0 ADADMP CCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 335599421 630075977 /nfs/dbraw/zinc/07/59/77/630075977.db2.gz QZQPODCXTHKVSK-NSHDSACASA-N 2 1 182.311 1.614 20 0 ADADMP CCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 335599420 630076638 /nfs/dbraw/zinc/07/66/38/630076638.db2.gz QZQPODCXTHKVSK-LLVKDONJSA-N 2 1 182.311 1.614 20 0 ADADMP CCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 335599420 630076642 /nfs/dbraw/zinc/07/66/42/630076642.db2.gz QZQPODCXTHKVSK-LLVKDONJSA-N 2 1 182.311 1.614 20 0 ADADMP C1CC(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 306208868 630085689 /nfs/dbraw/zinc/08/56/89/630085689.db2.gz RXERBJQGHSUJLY-NWDGAFQWSA-N 2 1 194.322 1.328 20 0 ADADMP CC(C)([NH3+])C[N@H+]1C[C@H]2CC=CC[C@H]2C1 306257346 630088218 /nfs/dbraw/zinc/08/82/18/630088218.db2.gz PPJYNQBGDISIJE-PHIMTYICSA-N 2 1 194.322 1.622 20 0 ADADMP C[C@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 306355302 630099017 /nfs/dbraw/zinc/09/90/17/630099017.db2.gz RXNDEEUETPGSEG-CMPLNLGQSA-N 2 1 194.322 1.636 20 0 ADADMP C[C@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 306355304 630100232 /nfs/dbraw/zinc/10/02/32/630100232.db2.gz RXNDEEUETPGSEG-JQWIXIFHSA-N 2 1 194.322 1.636 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 306414277 630107917 /nfs/dbraw/zinc/10/79/17/630107917.db2.gz VOVBZWOOHGNVCY-WDEREUQCSA-N 2 1 182.311 1.328 20 0 ADADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCF)C2 306422490 630108761 /nfs/dbraw/zinc/10/87/61/630108761.db2.gz AVJPYJGELISWSG-UWVGGRQHSA-N 2 1 186.274 1.017 20 0 ADADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCF)C2 306422490 630108769 /nfs/dbraw/zinc/10/87/69/630108769.db2.gz AVJPYJGELISWSG-UWVGGRQHSA-N 2 1 186.274 1.017 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C 306610958 630124999 /nfs/dbraw/zinc/12/49/99/630124999.db2.gz BWUZHWWWFPEAJK-WHOHXGKFSA-N 2 1 196.338 1.844 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 306637133 630125667 /nfs/dbraw/zinc/12/56/67/630125667.db2.gz MEKZXCPHQHBHNY-WISYIIOYSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 306637131 630126205 /nfs/dbraw/zinc/12/62/05/630126205.db2.gz MEKZXCPHQHBHNY-USZNOCQGSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 306637132 630126704 /nfs/dbraw/zinc/12/67/04/630126704.db2.gz MEKZXCPHQHBHNY-WHOHXGKFSA-N 2 1 196.338 1.702 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C 306610957 630126944 /nfs/dbraw/zinc/12/69/44/630126944.db2.gz BWUZHWWWFPEAJK-USZNOCQGSA-N 2 1 196.338 1.844 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC1 306856910 630133502 /nfs/dbraw/zinc/13/35/02/630133502.db2.gz YUGCPZSFEDBMFH-GXSJLCMTSA-N 2 1 182.311 1.517 20 0 ADADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCCC1 306859764 630133459 /nfs/dbraw/zinc/13/34/59/630133459.db2.gz DGOMJUUXVIKTFP-PWSUYJOCSA-N 2 1 196.338 1.907 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC1(C)C 306815451 630133470 /nfs/dbraw/zinc/13/34/70/630133470.db2.gz CARJVQZYXZLZDM-AXFHLTTASA-N 2 1 196.338 1.763 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCCC1 306859760 630134047 /nfs/dbraw/zinc/13/40/47/630134047.db2.gz DGOMJUUXVIKTFP-CMPLNLGQSA-N 2 1 196.338 1.907 20 0 ADADMP C1CC(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306879385 630135065 /nfs/dbraw/zinc/13/50/65/630135065.db2.gz DYKMQMXRMXIAEE-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP C1CC(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1 306879385 630135073 /nfs/dbraw/zinc/13/50/73/630135073.db2.gz DYKMQMXRMXIAEE-NEPJUHHUSA-N 2 1 194.322 1.470 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCCC1 306859762 630135088 /nfs/dbraw/zinc/13/50/88/630135088.db2.gz DGOMJUUXVIKTFP-JQWIXIFHSA-N 2 1 196.338 1.907 20 0 ADADMP CC1(C)[C@H]2C[N@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 307053811 630144383 /nfs/dbraw/zinc/14/43/83/630144383.db2.gz VZZSVVCGPYHIIC-MXWKQRLJSA-N 2 1 194.322 1.326 20 0 ADADMP CC1(C)[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]3)C[C@H]21 307053811 630144390 /nfs/dbraw/zinc/14/43/90/630144390.db2.gz VZZSVVCGPYHIIC-MXWKQRLJSA-N 2 1 194.322 1.326 20 0 ADADMP C[C@H]1C[C@@H](C)[C@H](C[NH3+])C[N@@H+]1CCF 307183847 630152802 /nfs/dbraw/zinc/15/28/02/630152802.db2.gz AEXTWXQDWMSVHV-KXUCPTDWSA-N 2 1 188.290 1.261 20 0 ADADMP C[C@@H]1C[C@@H](C)[N@@H+](CCF)C[C@@H]1C[NH3+] 307183846 630154068 /nfs/dbraw/zinc/15/40/68/630154068.db2.gz AEXTWXQDWMSVHV-BBBLOLIVSA-N 2 1 188.290 1.261 20 0 ADADMP CC[C@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307230662 630156519 /nfs/dbraw/zinc/15/65/19/630156519.db2.gz AOLWASPDAAJIKH-AXFHLTTASA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H](C)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 307230663 630157573 /nfs/dbraw/zinc/15/75/73/630157573.db2.gz AOLWASPDAAJIKH-MXWKQRLJSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 307560272 630171108 /nfs/dbraw/zinc/17/11/08/630171108.db2.gz HNLBOOOPPMFOGT-UTUOFQBUSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](C)C1 307560271 630171756 /nfs/dbraw/zinc/17/17/56/630171756.db2.gz HNLBOOOPPMFOGT-IJLUTSLNSA-N 2 1 196.338 1.716 20 0 ADADMP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)C1 307560269 630172920 /nfs/dbraw/zinc/17/29/20/630172920.db2.gz HNLBOOOPPMFOGT-GRYCIOLGSA-N 2 1 196.338 1.716 20 0 ADADMP CCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@@H]2C1 307676201 630181811 /nfs/dbraw/zinc/18/18/11/630181811.db2.gz GWWWQGNEWXZVSC-PHIMTYICSA-N 2 1 182.311 1.280 20 0 ADADMP CCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@@H]2C1 307676201 630181820 /nfs/dbraw/zinc/18/18/20/630181820.db2.gz GWWWQGNEWXZVSC-PHIMTYICSA-N 2 1 182.311 1.280 20 0 ADADMP CCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 307676201 630181824 /nfs/dbraw/zinc/18/18/24/630181824.db2.gz GWWWQGNEWXZVSC-PHIMTYICSA-N 2 1 182.311 1.280 20 0 ADADMP C[N@@H+](CC1(C)CC1)C1CCC([NH3+])CC1 307728338 630187932 /nfs/dbraw/zinc/18/79/32/630187932.db2.gz FCYQCJGQYPGNRK-UHFFFAOYSA-N 2 1 196.338 1.988 20 0 ADADMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C1CCC1 127541736 630194213 /nfs/dbraw/zinc/19/42/13/630194213.db2.gz ZZOCAXNGEAFVII-ZJUUUORDSA-N 2 1 182.311 1.326 20 0 ADADMP C[C@H]1C[N@@H+](CCC[NH3+])CC(C)(C)C1 334881800 630202256 /nfs/dbraw/zinc/20/22/56/630202256.db2.gz LPQBIWWAIXTFHM-SNVBAGLBSA-N 2 1 184.327 1.703 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])CC12CCC2 334833820 630202745 /nfs/dbraw/zinc/20/27/45/630202745.db2.gz SOZWNECFAFCRID-NSHDSACASA-N 2 1 196.338 1.847 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC[NH3+])CC12CCC2 334833819 630204912 /nfs/dbraw/zinc/20/49/12/630204912.db2.gz SOZWNECFAFCRID-LLVKDONJSA-N 2 1 196.338 1.847 20 0 ADADMP C[C@H]1CC[N@@H+](CCC[NH3+])CC1(C)C 334833835 630205844 /nfs/dbraw/zinc/20/58/44/630205844.db2.gz TVEAKLAOYHVZCC-JTQLQIEISA-N 2 1 184.327 1.703 20 0 ADADMP C[C@@H]1C[N@@H+](CCC[NH3+])CC(C)(C)C1 334881799 630206148 /nfs/dbraw/zinc/20/61/48/630206148.db2.gz LPQBIWWAIXTFHM-JTQLQIEISA-N 2 1 184.327 1.703 20 0 ADADMP C[C@@H]1CC[N@@H+](CCC[NH3+])C[C@H](C)C1 334865507 630206650 /nfs/dbraw/zinc/20/66/50/630206650.db2.gz UTEZLSMTTOSFPB-GHMZBOCLSA-N 2 1 184.327 1.703 20 0 ADADMP Cc1csc(C[NH2+]C[C@H](C)C[NH3+])n1 54345924 630260478 /nfs/dbraw/zinc/26/04/78/630260478.db2.gz ATSPWLJZKDFURF-SSDOTTSWSA-N 2 1 199.323 1.136 20 0 ADADMP C[NH2+]CCC[NH2+]Cc1ccc(C)nc1 163315747 630260591 /nfs/dbraw/zinc/26/05/91/630260591.db2.gz AAJXEUCYXDOTNS-UHFFFAOYSA-N 2 1 193.294 1.089 20 0 ADADMP Cc1csc(C[NH2+]C[C@@H](C)C[NH3+])n1 54345921 630261018 /nfs/dbraw/zinc/26/10/18/630261018.db2.gz ATSPWLJZKDFURF-ZETCQYMHSA-N 2 1 199.323 1.136 20 0 ADADMP C[NH2+][C@H]1CCC[N@H+](CCCC2CC2)C1 157104689 630745976 /nfs/dbraw/zinc/74/59/76/630745976.db2.gz AZATVQZAZNGXDD-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP C[NH2+][C@H]1CCC[N@@H+](CCCC2CC2)C1 157104689 630745979 /nfs/dbraw/zinc/74/59/79/630745979.db2.gz AZATVQZAZNGXDD-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP Cc1ccc(C[NH2+][C@@H](C)C[NH3+])cc1C 162000376 630746003 /nfs/dbraw/zinc/74/60/03/630746003.db2.gz MVDMZPADVSWLGG-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP CCC(CC)C[NH2+][C@@H](C)C[NH3+] 161997616 630746046 /nfs/dbraw/zinc/74/60/46/630746046.db2.gz FFKZGTWRZHRHPU-QMMMGPOBSA-N 2 1 158.289 1.359 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]CCC(C)(C)C 161996575 630746067 /nfs/dbraw/zinc/74/60/67/630746067.db2.gz QVBXJKUVXRWDJB-QMMMGPOBSA-N 2 1 158.289 1.359 20 0 ADADMP CCc1ccc(C[NH2+][C@@H](C)C[NH3+])s1 162002737 630746074 /nfs/dbraw/zinc/74/60/74/630746074.db2.gz JVEZJUDECRYECX-QMMMGPOBSA-N 2 1 198.335 1.747 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]CC1CCCCCC1 162003782 630746088 /nfs/dbraw/zinc/74/60/88/630746088.db2.gz XQGDLJGMKZWMSZ-JTQLQIEISA-N 2 1 184.327 1.894 20 0 ADADMP Cc1cc(C)cc(C[NH2+][C@@H](C)C[NH3+])c1 162036239 630746175 /nfs/dbraw/zinc/74/61/75/630746175.db2.gz DZLLAWZHUWKKEY-NSHDSACASA-N 2 1 192.306 1.740 20 0 ADADMP [NH3+]C[C@@H]1CCC[N@@H+](CCCF)C1 88024290 630747755 /nfs/dbraw/zinc/74/77/55/630747755.db2.gz XUBUSNUBSBOLSB-VIFPVBQESA-N 2 1 174.263 1.017 20 0 ADADMP CC(C)C[C@@H](C)[NH2+][C@@H](C)C[NH3+] 232592863 630749775 /nfs/dbraw/zinc/74/97/75/630749775.db2.gz MXWVBNZQLABGEN-BDAKNGLRSA-N 2 1 158.289 1.358 20 0 ADADMP CC(C)C[C@H](C)[NH2+][C@@H](C)C[NH3+] 232629660 630750056 /nfs/dbraw/zinc/75/00/56/630750056.db2.gz MXWVBNZQLABGEN-IUCAKERBSA-N 2 1 158.289 1.358 20 0 ADADMP CC(C)CC[C@H](C)[NH2+][C@@H](C)C[NH3+] 232576189 630750313 /nfs/dbraw/zinc/75/03/13/630750313.db2.gz NCDXRAPGFUQUOA-UWVGGRQHSA-N 2 1 172.316 1.748 20 0 ADADMP Cc1ncc(C[NH2+][C@H]2C[C@H]([NH3+])C2)s1 906508302 630751708 /nfs/dbraw/zinc/75/17/08/630751708.db2.gz LWBMWYBFWXMKFG-ZKCHVHJHSA-N 2 1 197.307 1.031 20 0 ADADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2F)C1 906508347 630751744 /nfs/dbraw/zinc/75/17/44/630751744.db2.gz ODASSBMJQNVBOZ-MGCOHNPYSA-N 2 1 194.253 1.405 20 0 ADADMP Cc1ncsc1C[NH2+][C@H]1C[C@H]([NH3+])C1 906508744 630752961 /nfs/dbraw/zinc/75/29/61/630752961.db2.gz XJECCEYWYLHRPT-ZKCHVHJHSA-N 2 1 197.307 1.031 20 0 ADADMP CC(C)CCC[N@@H+](C)C[C@H](C)[NH3+] 166146616 630760312 /nfs/dbraw/zinc/76/03/12/630760312.db2.gz HLTBSQPKXPEDCE-JTQLQIEISA-N 2 1 172.316 1.702 20 0 ADADMP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])C1CC1 324141721 630761737 /nfs/dbraw/zinc/76/17/37/630761737.db2.gz SEFAZUWFDVVTMN-WPRPVWTQSA-N 2 1 170.300 1.358 20 0 ADADMP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])C1CC1 324141719 630761804 /nfs/dbraw/zinc/76/18/04/630761804.db2.gz SEFAZUWFDVVTMN-WCBMZHEXSA-N 2 1 170.300 1.358 20 0 ADADMP C[N@@H+](CCCF)C[C@H]1CCC[NH2+]C1 213359595 630774582 /nfs/dbraw/zinc/77/45/82/630774582.db2.gz NRDKWDVZTYRDMA-JTQLQIEISA-N 2 1 188.290 1.277 20 0 ADADMP C[N@@H+](CCCF)C[C@@H]1CCC[NH2+]C1 213359552 630776256 /nfs/dbraw/zinc/77/62/56/630776256.db2.gz NRDKWDVZTYRDMA-SNVBAGLBSA-N 2 1 188.290 1.277 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 235101353 630777594 /nfs/dbraw/zinc/77/75/94/630777594.db2.gz ZKANSHMXNULVES-RCWTZXSCSA-N 2 1 184.327 1.748 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])C1CC1 324512911 630780905 /nfs/dbraw/zinc/78/09/05/630780905.db2.gz UQVJQVRUVVRFEN-CBAPKCEASA-N 2 1 156.273 1.112 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CC1 324512912 630781558 /nfs/dbraw/zinc/78/15/58/630781558.db2.gz UQVJQVRUVVRFEN-IONNQARKSA-N 2 1 156.273 1.112 20 0 ADADMP C[C@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)C1 129381786 630814496 /nfs/dbraw/zinc/81/44/96/630814496.db2.gz YPLLKYJSBNOMLG-DTWKUNHWSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])CC2)C1 129381612 630814501 /nfs/dbraw/zinc/81/45/01/630814501.db2.gz YPLLKYJSBNOMLG-RKDXNWHRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)C1 129381178 630815319 /nfs/dbraw/zinc/81/53/19/630815319.db2.gz YPLLKYJSBNOMLG-BDAKNGLRSA-N 2 1 168.284 1.256 20 0 ADADMP C[C@H]1CC[C@H]([NH2+]CC2([NH3+])CC2)C1 129381361 630816089 /nfs/dbraw/zinc/81/60/89/630816089.db2.gz YPLLKYJSBNOMLG-IUCAKERBSA-N 2 1 168.284 1.256 20 0 ADADMP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C1CC1 233077783 630823741 /nfs/dbraw/zinc/82/37/41/630823741.db2.gz AOQUFHWWOSNJLP-MNOVXSKESA-N 2 1 196.338 1.716 20 0 ADADMP CCCCC[C@H](C)[NH2+][C@@H](C)C[NH3+] 232959726 630823760 /nfs/dbraw/zinc/82/37/60/630823760.db2.gz YNRRXQZROBNIJS-UWVGGRQHSA-N 2 1 172.316 1.892 20 0 ADADMP CCC[C@@H](C)[NH2+][C@@H](C)C[NH3+] 233278600 630824038 /nfs/dbraw/zinc/82/40/38/630824038.db2.gz MGOWEQXOBCAWNT-SFYZADRCSA-N 2 1 144.262 1.112 20 0 ADADMP CCCCC[C@@H](C)[NH2+][C@H](C)C[NH3+] 232971242 630825677 /nfs/dbraw/zinc/82/56/77/630825677.db2.gz YNRRXQZROBNIJS-NXEZZACHSA-N 2 1 172.316 1.892 20 0 ADADMP CCCCC[C@H](C)[NH2+][C@H](C)C[NH3+] 232962396 630824476 /nfs/dbraw/zinc/82/44/76/630824476.db2.gz YNRRXQZROBNIJS-VHSXEESVSA-N 2 1 172.316 1.892 20 0 ADADMP CCCC[C@H](C)[NH2+][C@@H](C)C[NH3+] 232997494 630824639 /nfs/dbraw/zinc/82/46/39/630824639.db2.gz NNFSXIONFWGSCC-IUCAKERBSA-N 2 1 158.289 1.502 20 0 ADADMP CCC[C@@H](CC)[NH2+][C@@H](C)C[NH3+] 233287909 630825021 /nfs/dbraw/zinc/82/50/21/630825021.db2.gz CGGCFPDSZQAYNX-DTWKUNHWSA-N 2 1 158.289 1.502 20 0 ADADMP CCCCC[C@@H](C)[NH2+][C@@H](C)C[NH3+] 232969166 630825910 /nfs/dbraw/zinc/82/59/10/630825910.db2.gz YNRRXQZROBNIJS-ZJUUUORDSA-N 2 1 172.316 1.892 20 0 ADADMP CCC[C@H](CC)[NH2+][C@@H](C)C[NH3+] 233346785 630827892 /nfs/dbraw/zinc/82/78/92/630827892.db2.gz CGGCFPDSZQAYNX-IUCAKERBSA-N 2 1 158.289 1.502 20 0 ADADMP CCC[C@H](C)[NH2+][C@@H](C)C[NH3+] 233338551 630828219 /nfs/dbraw/zinc/82/82/19/630828219.db2.gz MGOWEQXOBCAWNT-YUMQZZPRSA-N 2 1 144.262 1.112 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])C(C)C 233890024 630830217 /nfs/dbraw/zinc/83/02/17/630830217.db2.gz APKIRYIUHFVDAK-DTWKUNHWSA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1 233915288 630830337 /nfs/dbraw/zinc/83/03/37/630830337.db2.gz MYQMAOIWEKPQHD-HBNTYKKESA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH3+] 233865769 630830533 /nfs/dbraw/zinc/83/05/33/630830533.db2.gz AWQHKKKGSUCVHD-VGMNWLOBSA-N 2 1 158.289 1.358 20 0 ADADMP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1 233909841 630830709 /nfs/dbraw/zinc/83/07/09/630830709.db2.gz MYQMAOIWEKPQHD-AXFHLTTASA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C[NH3+] 233925005 630830823 /nfs/dbraw/zinc/83/08/23/630830823.db2.gz CRPNXXCAQASFGR-HBNTYKKESA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[NH3+] 233907060 630830953 /nfs/dbraw/zinc/83/09/53/630830953.db2.gz CRPNXXCAQASFGR-AXFHLTTASA-N 2 1 184.327 1.892 20 0 ADADMP CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH3+] 233858412 630831100 /nfs/dbraw/zinc/83/11/00/630831100.db2.gz AWQHKKKGSUCVHD-HRDYMLBCSA-N 2 1 158.289 1.358 20 0 ADADMP CCC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCC1 324859445 630833250 /nfs/dbraw/zinc/83/32/50/630833250.db2.gz ZXDLNTZQDAYRDS-GXSJLCMTSA-N 2 1 184.327 1.892 20 0 ADADMP CCCC[N@@H+](C)C1CCC([NH3+])CC1 55144241 630833646 /nfs/dbraw/zinc/83/36/46/630833646.db2.gz OJOVIDYMOLVTHO-UHFFFAOYSA-N 2 1 184.327 1.988 20 0 ADADMP CCC[C@H]([NH2+][C@@H](C)C[NH3+])C1CCC1 324859450 630833726 /nfs/dbraw/zinc/83/37/26/630833726.db2.gz ZXDLNTZQDAYRDS-ONGXEEELSA-N 2 1 184.327 1.892 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@@H](C1CCC1)C1CC1 324988559 630837365 /nfs/dbraw/zinc/83/73/65/630837365.db2.gz VSMMVZQXFWADRD-KWQFWETISA-N 2 1 182.311 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+][C@H](C1CCC1)C1CC1 324988557 630837578 /nfs/dbraw/zinc/83/75/78/630837578.db2.gz VSMMVZQXFWADRD-GZMMTYOYSA-N 2 1 182.311 1.502 20 0 ADADMP CC[C@@H]([NH2+][C@@H](C)C[NH3+])C1CCC1 325073859 630841239 /nfs/dbraw/zinc/84/12/39/630841239.db2.gz WWSNJSRBCWHVJR-WCBMZHEXSA-N 2 1 170.300 1.502 20 0 ADADMP CC[C@H]([NH2+][C@@H](C)C[NH3+])C1CCC1 325073860 630843400 /nfs/dbraw/zinc/84/34/00/630843400.db2.gz WWSNJSRBCWHVJR-WPRPVWTQSA-N 2 1 170.300 1.502 20 0 ADADMP C[C@@H](C[NH3+])[NH2+]C(C1CCC1)C1CCC1 325050522 630843426 /nfs/dbraw/zinc/84/34/26/630843426.db2.gz PHRXSPRTLAAKIN-VIFPVBQESA-N 2 1 196.338 1.892 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 227015352 630855905 /nfs/dbraw/zinc/85/59/05/630855905.db2.gz BOMKWGFMTVQMCO-NXEZZACHSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@H](C)[N@H+]1CC[C@@H](CC[NH3+])C1 227015360 630855925 /nfs/dbraw/zinc/85/59/25/630855925.db2.gz BOMKWGFMTVQMCO-VHSXEESVSA-N 2 1 170.300 1.456 20 0 ADADMP CC[NH+]1CCC([NH2+][C@H]2C=CCC2)CC1 700599793 630881149 /nfs/dbraw/zinc/88/11/49/630881149.db2.gz QFUFNFFMYZGYIP-NSHDSACASA-N 2 1 194.322 1.779 20 0 ADADMP CC[NH+]1CCC([NH2+][C@@H]2C=CCC2)CC1 700599792 630882502 /nfs/dbraw/zinc/88/25/02/630882502.db2.gz QFUFNFFMYZGYIP-LLVKDONJSA-N 2 1 194.322 1.779 20 0 ADADMP C[N@@H+](CC1CC1)C[C@]1(C)CCC[NH2+]C1 62862174 630883044 /nfs/dbraw/zinc/88/30/44/630883044.db2.gz RQGYNMNBMADPHB-GFCCVEGCSA-N 2 1 196.338 1.718 20 0 ADADMP C[N@@H+](CC1CC1)C[C@@]1(C)CCC[NH2+]C1 62862173 630883579 /nfs/dbraw/zinc/88/35/79/630883579.db2.gz RQGYNMNBMADPHB-LBPRGKRZSA-N 2 1 196.338 1.718 20 0 ADADMP CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C1CC1 62861892 630884873 /nfs/dbraw/zinc/88/48/73/630884873.db2.gz XGFJLJJQYBMXQU-LBPRGKRZSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C)C[C@]1(C)CCC[NH2+]C1 62861939 630884995 /nfs/dbraw/zinc/88/49/95/630884995.db2.gz HTHOBQZADIQSGL-LLVKDONJSA-N 2 1 184.327 1.718 20 0 ADADMP CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C1CC1 62861891 630885711 /nfs/dbraw/zinc/88/57/11/630885711.db2.gz XGFJLJJQYBMXQU-GFCCVEGCSA-N 2 1 196.338 1.860 20 0 ADADMP CCC[N@@H+](C)C[C@@]1(C)CCC[NH2+]C1 62861940 630885792 /nfs/dbraw/zinc/88/57/92/630885792.db2.gz HTHOBQZADIQSGL-NSHDSACASA-N 2 1 184.327 1.718 20 0 ADADMP CC[C@@H](C)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923516553 630899300 /nfs/dbraw/zinc/89/93/00/630899300.db2.gz JPQUVZKTJUCIQC-OUAUKWLOSA-N 2 1 182.311 1.326 20 0 ADADMP CC[C@@H](C)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923516420 630899924 /nfs/dbraw/zinc/89/99/24/630899924.db2.gz DLVMVUOMDMOZBI-GRYCIOLGSA-N 2 1 196.338 1.574 20 0 ADADMP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515788 630900452 /nfs/dbraw/zinc/90/04/52/630900452.db2.gz MDGNGXUCZWOOOZ-NNYUYHANSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515787 630901300 /nfs/dbraw/zinc/90/13/00/630901300.db2.gz MDGNGXUCZWOOOZ-FIQHERPVSA-N 2 1 194.322 1.184 20 0 ADADMP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 923515789 630901590 /nfs/dbraw/zinc/90/15/90/630901590.db2.gz MDGNGXUCZWOOOZ-NOOOWODRSA-N 2 1 194.322 1.184 20 0 ADADMP CC(C)CC[C@@H](C)[NH2+][C@@H](C)C[NH3+] 232560323 630904324 /nfs/dbraw/zinc/90/43/24/630904324.db2.gz NCDXRAPGFUQUOA-ZJUUUORDSA-N 2 1 172.316 1.748 20 0 ADADMP Cc1[nH+]ccn1CCC[N@H+](C)CCF 767452096 630913579 /nfs/dbraw/zinc/91/35/79/630913579.db2.gz PLYLKQJXRJAXPW-UHFFFAOYSA-N 2 1 199.273 1.483 20 0 ADADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCF 767452096 630913582 /nfs/dbraw/zinc/91/35/82/630913582.db2.gz PLYLKQJXRJAXPW-UHFFFAOYSA-N 2 1 199.273 1.483 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@H](C[NH3+])C1 11888293 630995644 /nfs/dbraw/zinc/99/56/44/630995644.db2.gz NKKAEUKCFKHJLH-LLVKDONJSA-N 2 1 184.327 1.703 20 0 ADADMP CC(C)CC[N@H+]1CCC[C@@H](C[NH3+])C1 11888288 630998103 /nfs/dbraw/zinc/99/81/03/630998103.db2.gz NKKAEUKCFKHJLH-NSHDSACASA-N 2 1 184.327 1.703 20 0 ADADMP C[C@H](CC(C)(C)C)[NH2+]CC[NH3+] 219458409 631016446 /nfs/dbraw/zinc/01/64/46/631016446.db2.gz JBHVYYNQQGCKHL-MRVPVSSYSA-N 2 1 158.289 1.359 20 0 ADADMP C[C@@H](CC(C)(C)C)[NH2+]CC[NH3+] 219458333 631017260 /nfs/dbraw/zinc/01/72/60/631017260.db2.gz JBHVYYNQQGCKHL-QMMMGPOBSA-N 2 1 158.289 1.359 20 0 ADADMP CSCC[NH2+][C@H]1CC[NH2+]C1(C)C 925506843 631043763 /nfs/dbraw/zinc/04/37/63/631043763.db2.gz SMFZGPSDGVYFBF-QMMMGPOBSA-N 2 1 188.340 1.080 20 0 ADADMP CSCC[NH2+][C@@H]1CC[NH2+]C1(C)C 925506842 631045430 /nfs/dbraw/zinc/04/54/30/631045430.db2.gz SMFZGPSDGVYFBF-MRVPVSSYSA-N 2 1 188.340 1.080 20 0 ADADMP C[C@@H]([NH2+][C@H]1CCC[NH2+][C@@H]1C)C1CC1 925682668 631045988 /nfs/dbraw/zinc/04/59/88/631045988.db2.gz ZFUIFEABDFIJEJ-KKZNHRDASA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H](C)C1CC1 925682670 631047946 /nfs/dbraw/zinc/04/79/46/631047946.db2.gz ZFUIFEABDFIJEJ-YWVKMMECSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H](C)C1CC1 925682669 631048152 /nfs/dbraw/zinc/04/81/52/631048152.db2.gz ZFUIFEABDFIJEJ-WCABBAIRSA-N 2 1 182.311 1.515 20 0 ADADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+][C@@H]1C)C1CC1 925682667 631048228 /nfs/dbraw/zinc/04/82/28/631048228.db2.gz ZFUIFEABDFIJEJ-FXPVBKGRSA-N 2 1 182.311 1.515 20 0 ADADMP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1=CCCC1 925705176 631050716 /nfs/dbraw/zinc/05/07/16/631050716.db2.gz GQFUKOQBYGZKHZ-NSHDSACASA-N 2 1 194.322 1.827 20 0 ADADMP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1=CCCC1 925705175 631051287 /nfs/dbraw/zinc/05/12/87/631051287.db2.gz GQFUKOQBYGZKHZ-LLVKDONJSA-N 2 1 194.322 1.827 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1C=CCC1 925733511 631052028 /nfs/dbraw/zinc/05/20/28/631052028.db2.gz WJNUHBOZIOMZFO-IJLUTSLNSA-N 2 1 194.322 1.540 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1C=CCC1 925733512 631052996 /nfs/dbraw/zinc/05/29/96/631052996.db2.gz WJNUHBOZIOMZFO-UTUOFQBUSA-N 2 1 194.322 1.540 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1C=CCC1 925733510 631054150 /nfs/dbraw/zinc/05/41/50/631054150.db2.gz WJNUHBOZIOMZFO-GRYCIOLGSA-N 2 1 194.322 1.540 20 0 ADADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1C=CCC1 925733513 631054819 /nfs/dbraw/zinc/05/48/19/631054819.db2.gz WJNUHBOZIOMZFO-WOPDTQHZSA-N 2 1 194.322 1.540 20 0 ADADMP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278875 631121551 /nfs/dbraw/zinc/12/15/51/631121551.db2.gz PYGQKRMMAVVDSV-WYUUTHIRSA-N 2 1 196.338 1.524 20 0 ADADMP CC[C@@H](C)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278875 631121552 /nfs/dbraw/zinc/12/15/52/631121552.db2.gz PYGQKRMMAVVDSV-WYUUTHIRSA-N 2 1 196.338 1.524 20 0 ADADMP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278875 631121555 /nfs/dbraw/zinc/12/15/55/631121555.db2.gz PYGQKRMMAVVDSV-WYUUTHIRSA-N 2 1 196.338 1.524 20 0 ADADMP CN(C)[C@H]1[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 931278323 631121867 /nfs/dbraw/zinc/12/18/67/631121867.db2.gz WCPPZEINBRCBAP-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]21 931278323 631121870 /nfs/dbraw/zinc/12/18/70/631121870.db2.gz WCPPZEINBRCBAP-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@H+](CCC3CC3)C[C@@H]21 931278323 631121874 /nfs/dbraw/zinc/12/18/74/631121874.db2.gz WCPPZEINBRCBAP-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278102 631122130 /nfs/dbraw/zinc/12/21/30/631122130.db2.gz XMTLVWGUTBQUNT-NNYUYHANSA-N 2 1 196.338 1.667 20 0 ADADMP CCC[C@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278102 631122134 /nfs/dbraw/zinc/12/21/34/631122134.db2.gz XMTLVWGUTBQUNT-NNYUYHANSA-N 2 1 196.338 1.667 20 0 ADADMP CCC[C@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278102 631122136 /nfs/dbraw/zinc/12/21/36/631122136.db2.gz XMTLVWGUTBQUNT-NNYUYHANSA-N 2 1 196.338 1.667 20 0 ADADMP CC(C)=CC[N@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931277293 631122213 /nfs/dbraw/zinc/12/22/13/631122213.db2.gz JIOHPBAGSXKMAF-GDNZZTSVSA-N 2 1 194.322 1.444 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931282149 631122668 /nfs/dbraw/zinc/12/26/68/631122668.db2.gz JSHHBYDCRHUZLU-URLYPYJESA-N 2 1 182.311 1.134 20 0 ADADMP CC(C)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931282149 631122669 /nfs/dbraw/zinc/12/26/69/631122669.db2.gz JSHHBYDCRHUZLU-URLYPYJESA-N 2 1 182.311 1.134 20 0 ADADMP CC(C)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931282149 631122670 /nfs/dbraw/zinc/12/26/70/631122670.db2.gz JSHHBYDCRHUZLU-URLYPYJESA-N 2 1 182.311 1.134 20 0 ADADMP CN(C)[C@H]1[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 931276875 631122681 /nfs/dbraw/zinc/12/26/81/631122681.db2.gz KTGWGCXIIURFRW-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 931276875 631122684 /nfs/dbraw/zinc/12/26/84/631122684.db2.gz KTGWGCXIIURFRW-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@H+](CC3CCC3)C[C@@H]21 931276875 631122687 /nfs/dbraw/zinc/12/26/87/631122687.db2.gz KTGWGCXIIURFRW-GDNZZTSVSA-N 2 1 194.322 1.278 20 0 ADADMP CN(C)[C@H]1[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21 931278979 631122757 /nfs/dbraw/zinc/12/27/57/631122757.db2.gz UJCPPWPSINOYEB-GDNZZTSVSA-N 2 1 194.322 1.421 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@H+](C3CCCC3)C[C@@H]21 931278979 631122760 /nfs/dbraw/zinc/12/27/60/631122760.db2.gz UJCPPWPSINOYEB-GDNZZTSVSA-N 2 1 194.322 1.421 20 0 ADADMP C[NH+](C)[C@H]1[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21 931278979 631122762 /nfs/dbraw/zinc/12/27/62/631122762.db2.gz UJCPPWPSINOYEB-GDNZZTSVSA-N 2 1 194.322 1.421 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278874 631122779 /nfs/dbraw/zinc/12/27/79/631122779.db2.gz PYGQKRMMAVVDSV-NNYUYHANSA-N 2 1 196.338 1.524 20 0 ADADMP CC[C@H](C)C[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278874 631122782 /nfs/dbraw/zinc/12/27/82/631122782.db2.gz PYGQKRMMAVVDSV-NNYUYHANSA-N 2 1 196.338 1.524 20 0 ADADMP CC[C@H](C)C[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278874 631122783 /nfs/dbraw/zinc/12/27/83/631122783.db2.gz PYGQKRMMAVVDSV-NNYUYHANSA-N 2 1 196.338 1.524 20 0 ADADMP CCCC[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931279439 631122897 /nfs/dbraw/zinc/12/28/97/631122897.db2.gz IQNMCCORVHZEJK-URLYPYJESA-N 2 1 182.311 1.278 20 0 ADADMP CCCC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279439 631122900 /nfs/dbraw/zinc/12/29/00/631122900.db2.gz IQNMCCORVHZEJK-URLYPYJESA-N 2 1 182.311 1.278 20 0 ADADMP CCCC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931279439 631122902 /nfs/dbraw/zinc/12/29/02/631122902.db2.gz IQNMCCORVHZEJK-URLYPYJESA-N 2 1 182.311 1.278 20 0 ADADMP CC(C)CC[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931280344 631123009 /nfs/dbraw/zinc/12/30/09/631123009.db2.gz XWPIZGGSWKJLGW-GDNZZTSVSA-N 2 1 196.338 1.524 20 0 ADADMP CC(C)CC[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280344 631123011 /nfs/dbraw/zinc/12/30/11/631123011.db2.gz XWPIZGGSWKJLGW-GDNZZTSVSA-N 2 1 196.338 1.524 20 0 ADADMP CC(C)CC[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931280344 631123013 /nfs/dbraw/zinc/12/30/13/631123013.db2.gz XWPIZGGSWKJLGW-GDNZZTSVSA-N 2 1 196.338 1.524 20 0 ADADMP CCC[C@@H](C)[N@@H+]1C[C@H]2[C@H](N(C)C)[C@H]2C1 931278103 631123065 /nfs/dbraw/zinc/12/30/65/631123065.db2.gz XMTLVWGUTBQUNT-WYUUTHIRSA-N 2 1 196.338 1.667 20 0 ADADMP CCC[C@@H](C)[N@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278103 631123067 /nfs/dbraw/zinc/12/30/67/631123067.db2.gz XMTLVWGUTBQUNT-WYUUTHIRSA-N 2 1 196.338 1.667 20 0 ADADMP CCC[C@@H](C)[N@@H+]1C[C@H]2[C@H]([NH+](C)C)[C@H]2C1 931278103 631123068 /nfs/dbraw/zinc/12/30/68/631123068.db2.gz XMTLVWGUTBQUNT-WYUUTHIRSA-N 2 1 196.338 1.667 20 0 ADADMP C[N@H+]1CC[C@@H]2C[NH+](CC3CC3)C[C@@H]2C1 931436557 631124402 /nfs/dbraw/zinc/12/44/02/631124402.db2.gz STWFCSQINYJLMW-NEPJUHHUSA-N 2 1 194.322 1.280 20 0 ADADMP C[NH+]1CC[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 931436557 631124404 /nfs/dbraw/zinc/12/44/04/631124404.db2.gz STWFCSQINYJLMW-NEPJUHHUSA-N 2 1 194.322 1.280 20 0 ADADMP C[NH+]1CC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 931436557 631124406 /nfs/dbraw/zinc/12/44/06/631124406.db2.gz STWFCSQINYJLMW-NEPJUHHUSA-N 2 1 194.322 1.280 20 0 ADADMP CCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 931433103 631125140 /nfs/dbraw/zinc/12/51/40/631125140.db2.gz PEEVHMDSMFXTRF-NWDGAFQWSA-N 2 1 196.338 1.670 20 0 ADADMP CCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 931433103 631125142 /nfs/dbraw/zinc/12/51/42/631125142.db2.gz PEEVHMDSMFXTRF-NWDGAFQWSA-N 2 1 196.338 1.670 20 0 ADADMP CCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 931433103 631125144 /nfs/dbraw/zinc/12/51/44/631125144.db2.gz PEEVHMDSMFXTRF-NWDGAFQWSA-N 2 1 196.338 1.670 20 0 ADADMP CC(C)[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931729952 631127291 /nfs/dbraw/zinc/12/72/91/631127291.db2.gz UEGAJBMIHYNHKT-MNOVXSKESA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931729952 631127293 /nfs/dbraw/zinc/12/72/93/631127293.db2.gz UEGAJBMIHYNHKT-MNOVXSKESA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931729952 631127294 /nfs/dbraw/zinc/12/72/94/631127294.db2.gz UEGAJBMIHYNHKT-MNOVXSKESA-N 2 1 182.311 1.563 20 0 ADADMP CC(C)[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931729952 631127296 /nfs/dbraw/zinc/12/72/96/631127296.db2.gz UEGAJBMIHYNHKT-MNOVXSKESA-N 2 1 182.311 1.563 20 0 ADADMP CCC[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931719982 631127376 /nfs/dbraw/zinc/12/73/76/631127376.db2.gz PZNABZHTXVSFOF-MNOVXSKESA-N 2 1 182.311 1.565 20 0 ADADMP CCC[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931719982 631127378 /nfs/dbraw/zinc/12/73/78/631127378.db2.gz PZNABZHTXVSFOF-MNOVXSKESA-N 2 1 182.311 1.565 20 0 ADADMP CCC[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931719982 631127381 /nfs/dbraw/zinc/12/73/81/631127381.db2.gz PZNABZHTXVSFOF-MNOVXSKESA-N 2 1 182.311 1.565 20 0 ADADMP CCC[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931719982 631127383 /nfs/dbraw/zinc/12/73/83/631127383.db2.gz PZNABZHTXVSFOF-MNOVXSKESA-N 2 1 182.311 1.565 20 0 ADADMP CCCC[N@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931726640 631128326 /nfs/dbraw/zinc/12/83/26/631128326.db2.gz LBPTYZUYQMLEST-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[N@@H+]1[C@H]2CC[C@@H]1CC[NH+](C)C2 931726640 631128333 /nfs/dbraw/zinc/12/83/33/631128333.db2.gz LBPTYZUYQMLEST-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[NH+]1[C@H]2CC[C@@H]1CC[N@@H+](C)C2 931726640 631128337 /nfs/dbraw/zinc/12/83/37/631128337.db2.gz LBPTYZUYQMLEST-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[NH+]1[C@H]2CC[C@@H]1CC[N@H+](C)C2 931726640 631128339 /nfs/dbraw/zinc/12/83/39/631128339.db2.gz LBPTYZUYQMLEST-NEPJUHHUSA-N 2 1 196.338 1.955 20 0 ADADMP CCCC[N@H+]1CC[C@H](CC[NH3+])C1 77264146 631155009 /nfs/dbraw/zinc/15/50/09/631155009.db2.gz OJEZQZPZIJABGV-JTQLQIEISA-N 2 1 170.300 1.457 20 0 ADADMP CCCC[N@H+]1CC[C@@H](CC[NH3+])C1 77264151 631155097 /nfs/dbraw/zinc/15/50/97/631155097.db2.gz OJEZQZPZIJABGV-SNVBAGLBSA-N 2 1 170.300 1.457 20 0 ADADMP CC[C@@H](C)[N@H+]1CC[C@H](CC[NH3+])C1 77264153 631155114 /nfs/dbraw/zinc/15/51/14/631155114.db2.gz BOMKWGFMTVQMCO-ZJUUUORDSA-N 2 1 170.300 1.456 20 0 ADADMP CC[C@@H]1C[N@H+](CCF)CC[C@H]1[NH3+] 251541850 631164573 /nfs/dbraw/zinc/16/45/73/631164573.db2.gz ATVKCABHTSIWIF-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP CC[C@@H]1C[N@@H+](CCF)CC[C@H]1[NH3+] 251541850 631164575 /nfs/dbraw/zinc/16/45/75/631164575.db2.gz ATVKCABHTSIWIF-RKDXNWHRSA-N 2 1 174.263 1.015 20 0 ADADMP CC[C@H]1C[N@H+](CCF)CC[C@H]1[NH3+] 251541838 631164821 /nfs/dbraw/zinc/16/48/21/631164821.db2.gz ATVKCABHTSIWIF-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP CC[C@H]1C[N@@H+](CCF)CC[C@H]1[NH3+] 251541838 631164822 /nfs/dbraw/zinc/16/48/22/631164822.db2.gz ATVKCABHTSIWIF-DTWKUNHWSA-N 2 1 174.263 1.015 20 0 ADADMP [NH3+]CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 252440287 631165567 /nfs/dbraw/zinc/16/55/67/631165567.db2.gz ZLGGXSSNZKSTSJ-GRYCIOLGSA-N 2 1 196.338 1.894 20 0 ADADMP C[C@@H]1C[N@@H+](CCCC2CC2)CC[C@H]1[NH3+] 253078276 631166042 /nfs/dbraw/zinc/16/60/42/631166042.db2.gz SVOHYQVUGPLRGH-ZYHUDNBSSA-N 2 1 196.338 1.846 20 0 ADADMP C[C@H]1C[N@@H+](CCCC2CC2)CC[C@H]1[NH3+] 253078275 631166304 /nfs/dbraw/zinc/16/63/04/631166304.db2.gz SVOHYQVUGPLRGH-CMPLNLGQSA-N 2 1 196.338 1.846 20 0 ADADMP CC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 306356701 631170923 /nfs/dbraw/zinc/17/09/23/631170923.db2.gz TXZOFGYKCDECNW-JTQLQIEISA-N 2 1 182.311 1.457 20 0 ADADMP CC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 306356703 631171052 /nfs/dbraw/zinc/17/10/52/631171052.db2.gz TXZOFGYKCDECNW-SNVBAGLBSA-N 2 1 182.311 1.457 20 0 ADADMP CC(C)CCC[N@@H+](C)C[C@@H](C)[NH3+] 166146502 1224196234 /nfs/dbraw/zinc/19/62/34/1224196234.db2.gz HLTBSQPKXPEDCE-SNVBAGLBSA-N 2 1 172.316 1.702 20 0 ADADMP CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] 168166446 1224199679 /nfs/dbraw/zinc/19/96/79/1224199679.db2.gz YEFSAMBKAXETLL-CMPLNLGQSA-N 2 1 192.306 1.554 20 0 ADADMP CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] 168166314 1224199922 /nfs/dbraw/zinc/19/99/22/1224199922.db2.gz YEFSAMBKAXETLL-ZYHUDNBSSA-N 2 1 192.306 1.554 20 0 ADADMP CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] 168166383 1224200282 /nfs/dbraw/zinc/20/02/82/1224200282.db2.gz YEFSAMBKAXETLL-JQWIXIFHSA-N 2 1 192.306 1.554 20 0 ADADMP CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] 168166258 1224200319 /nfs/dbraw/zinc/20/03/19/1224200319.db2.gz YEFSAMBKAXETLL-PWSUYJOCSA-N 2 1 192.306 1.554 20 0 ADADMP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccccc1 219320104 1224221519 /nfs/dbraw/zinc/22/15/19/1224221519.db2.gz OFMIXVMWEDINNR-SNVBAGLBSA-N 2 1 190.290 1.829 20 0 ADADMP Cc1ccc(C[NH2+]CC2([NH3+])CC2)cc1 219320029 1224222400 /nfs/dbraw/zinc/22/24/00/1224222400.db2.gz JKPGMGWQGNFSRL-UHFFFAOYSA-N 2 1 190.290 1.576 20 0 ADADMP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccccc1 219320075 1224222689 /nfs/dbraw/zinc/22/26/89/1224222689.db2.gz OFMIXVMWEDINNR-JTQLQIEISA-N 2 1 190.290 1.829 20 0 ADADMP CC(C)C1(C[NH2+][C@@H](C)C[NH3+])CC1 232532244 1224233452 /nfs/dbraw/zinc/23/34/52/1224233452.db2.gz ZIDDSWYROVKQAU-VIFPVBQESA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)C1(C[NH2+][C@H](C)C[NH3+])CC1 232532330 1224233645 /nfs/dbraw/zinc/23/36/45/1224233645.db2.gz ZIDDSWYROVKQAU-SECBINFHSA-N 2 1 170.300 1.359 20 0 ADADMP CC(C)C1(C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 232617220 1224234830 /nfs/dbraw/zinc/23/48/30/1224234830.db2.gz BJBKRDOXSOOGBL-NSHDSACASA-N 2 1 196.338 1.703 20 0 ADADMP CC(C)C1(C[N@H+]2CC[C@H](C[NH3+])C2)CC1 232617753 1224235797 /nfs/dbraw/zinc/23/57/97/1224235797.db2.gz BJBKRDOXSOOGBL-LLVKDONJSA-N 2 1 196.338 1.703 20 0 ADADMP C[C@@H]1CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 306355307 1224256608 /nfs/dbraw/zinc/25/66/08/1224256608.db2.gz RXNDEEUETPGSEG-ZYHUDNBSSA-N 2 1 194.322 1.636 20 0 ADADMP C[C@@H]1CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 306355306 1224256850 /nfs/dbraw/zinc/25/68/50/1224256850.db2.gz RXNDEEUETPGSEG-PWSUYJOCSA-N 2 1 194.322 1.636 20 0 ADADMP C1C[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C[NH2+]1 307180910 1224279889 /nfs/dbraw/zinc/27/98/89/1224279889.db2.gz MAWABIVNYYQPFC-NEPJUHHUSA-N 2 1 194.322 1.328 20 0 ADADMP C[N@@H+](C/C=C\Cl)CCC[NH3+] 307811208 1224291478 /nfs/dbraw/zinc/29/14/78/1224291478.db2.gz PYSVELSAAQYAJC-RQOWECAXSA-N 2 1 162.664 1.020 20 0 ADADMP C[N@H+](C/C=C\Cl)CCC[NH3+] 307811208 1224291481 /nfs/dbraw/zinc/29/14/81/1224291481.db2.gz PYSVELSAAQYAJC-RQOWECAXSA-N 2 1 162.664 1.020 20 0 ADADMP CC[C@@H]1C[C@H]1C[N@@H+](C)CCC[NH3+] 382082172 1224320964 /nfs/dbraw/zinc/32/09/64/1224320964.db2.gz PWSBTKCCHVUMIR-ZJUUUORDSA-N 2 1 170.300 1.313 20 0 ADADMP CCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C 396619630 1224335768 /nfs/dbraw/zinc/33/57/68/1224335768.db2.gz IHJJAEXQGLXCPI-WDEREUQCSA-N 2 1 184.327 1.907 20 0 ADADMP CCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C 396619626 1224335879 /nfs/dbraw/zinc/33/58/79/1224335879.db2.gz IHJJAEXQGLXCPI-MNOVXSKESA-N 2 1 184.327 1.907 20 0 ADADMP CCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C 396619628 1224336123 /nfs/dbraw/zinc/33/61/23/1224336123.db2.gz IHJJAEXQGLXCPI-QWRGUYRKSA-N 2 1 184.327 1.907 20 0 ADADMP CCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C 396619625 1224336142 /nfs/dbraw/zinc/33/61/42/1224336142.db2.gz IHJJAEXQGLXCPI-GHMZBOCLSA-N 2 1 184.327 1.907 20 0 ADADMP CCC[C@@H]([NH2+]CC[NH3+])[C@@H]1CC1(C)C 397683019 1224336521 /nfs/dbraw/zinc/33/65/21/1224336521.db2.gz JGHMHEKZQKVAEO-VHSXEESVSA-N 2 1 184.327 1.750 20 0 ADADMP CCC[C@H]([NH2+]CC[NH3+])[C@@H]1CC1(C)C 397683017 1224336865 /nfs/dbraw/zinc/33/68/65/1224336865.db2.gz JGHMHEKZQKVAEO-UWVGGRQHSA-N 2 1 184.327 1.750 20 0 ADADMP CCC[C@@H]([NH2+]CC[NH3+])[C@H]1CC1(C)C 397683015 1224336952 /nfs/dbraw/zinc/33/69/52/1224336952.db2.gz JGHMHEKZQKVAEO-NXEZZACHSA-N 2 1 184.327 1.750 20 0 ADADMP CCC[C@H]([NH2+]CC[NH3+])[C@H]1CC1(C)C 397683020 1224337028 /nfs/dbraw/zinc/33/70/28/1224337028.db2.gz JGHMHEKZQKVAEO-ZJUUUORDSA-N 2 1 184.327 1.750 20 0 ADADMP C[C@@H]([NH2+]C/C=C/C1CC1)[C@H]1CCC[NH2+]1 1329023368 1224441269 /nfs/dbraw/zinc/44/12/69/1224441269.db2.gz KLQGLRBZDUJBGQ-DHAXOIOKSA-N 2 1 194.322 1.683 20 0 ADADMP C[C@@H]([NH2+]C/C=C\C1CC1)[C@H]1CCC[NH2+]1 1329023369 1224442000 /nfs/dbraw/zinc/44/20/00/1224442000.db2.gz KLQGLRBZDUJBGQ-INLBZTQWSA-N 2 1 194.322 1.683 20 0 ADADMP Cc1ccc([C@H](C)C[NH2+]CC[NH3+])cc1 1574151930 1224492621 /nfs/dbraw/zinc/49/26/21/1224492621.db2.gz GXKGGCZNGRWQPS-LLVKDONJSA-N 2 1 192.306 1.647 20 0 ADADMP Cc1ccc([C@@H](C)C[NH2+]CC[NH3+])cc1 1574151931 1224493262 /nfs/dbraw/zinc/49/32/62/1224493262.db2.gz GXKGGCZNGRWQPS-NSHDSACASA-N 2 1 192.306 1.647 20 0 ADADMP CSC1CC([NH2+]C(C)(C)C[NH3+])C1 1579366827 1224494887 /nfs/dbraw/zinc/49/48/87/1224494887.db2.gz CYYPSZVUWSJMGJ-UHFFFAOYSA-N 2 1 188.340 1.207 20 0 ADADMP CC[N@@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1655562606 1224515301 /nfs/dbraw/zinc/51/53/01/1224515301.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 2 1 168.284 1.175 20 0 ADADMP CC[N@H+]1[C@H]2CC[C@@H]1C[NH+](C)CC2 1655562606 1224515302 /nfs/dbraw/zinc/51/53/02/1224515302.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 2 1 168.284 1.175 20 0 ADADMP CC[NH+]1[C@H]2CC[C@@H]1C[N@H+](C)CC2 1655562606 1224515304 /nfs/dbraw/zinc/51/53/04/1224515304.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 2 1 168.284 1.175 20 0 ADADMP CC[NH+]1[C@H]2CC[C@@H]1C[N@@H+](C)CC2 1655562606 1224515307 /nfs/dbraw/zinc/51/53/07/1224515307.db2.gz KCPJYDGQKNNKKV-VHSXEESVSA-N 2 1 168.284 1.175 20 0 ADADMP