smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCn1cc[nH+]c1C ZINC000111223737 674037873 /nfs/dbraw/zinc/03/78/73/674037873.db2.gz OWOSSTCHCATHMM-UHFFFAOYSA-N 1 1 194.322 3.552 20 30 AHEDMO CCCCCCCCC[N@@H+](C)CC ZINC000114220356 572010669 /nfs/dbraw/zinc/01/06/69/572010669.db2.gz LDDWSGZKLFWQAE-UHFFFAOYSA-N 1 1 185.355 3.689 20 30 AHEDMO CCCCCCC[N@@H+](C)CCCC ZINC000196726072 757025947 /nfs/dbraw/zinc/02/59/47/757025947.db2.gz CGFPTDSCMVOQHA-UHFFFAOYSA-N 1 1 185.355 3.689 20 30 AHEDMO CCCCCCC[N@@H+](CC)CCC ZINC000196750788 757025069 /nfs/dbraw/zinc/02/50/69/757025069.db2.gz MNUXNPIVOFPUJD-UHFFFAOYSA-N 1 1 185.355 3.689 20 30 AHEDMO CCCCCCC[N@@H+](C)CC(C)C ZINC000308222819 573016078 /nfs/dbraw/zinc/01/60/78/573016078.db2.gz LXOWYHUGLYBNRY-UHFFFAOYSA-N 1 1 185.355 3.545 20 30 AHEDMO C=C(C)C[N@H+](C(C)C)C1CCCCC1 ZINC000590941441 582504876 /nfs/dbraw/zinc/50/48/76/582504876.db2.gz VJVVSTRAXWMVCG-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@H+](C)C1CCCCCC1 ZINC000605149765 346968269 /nfs/dbraw/zinc/96/82/69/346968269.db2.gz LCXKALRUNQRHGS-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCC[N@H+](CC)C1CCCCC1 ZINC000605149767 346968504 /nfs/dbraw/zinc/96/85/04/346968504.db2.gz LEQYEEMALKKSCE-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCC[N@H+](CCCCC)C(C)C ZINC000605149834 346968353 /nfs/dbraw/zinc/96/83/53/346968353.db2.gz ATWFBBRFINRMNI-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCC[N@H+](C(CC)CC)C1CC1 ZINC000605150086 346968374 /nfs/dbraw/zinc/96/83/74/346968374.db2.gz OYNPISLSOCTIQZ-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@H+](C(C)C)C1CCCC1 ZINC000605150343 346968873 /nfs/dbraw/zinc/96/88/73/346968873.db2.gz KABQPDTVXCBTKO-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@H+](CC)CC(CC)CC ZINC000605150966 346969299 /nfs/dbraw/zinc/96/92/99/346969299.db2.gz MOFNHBZBUZXBDV-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCC[N@H+](C(C)C)C1CCCCC1 ZINC000606897335 346985676 /nfs/dbraw/zinc/98/56/76/346985676.db2.gz RKDPXGBKAOQXKZ-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CC ZINC000606901050 346986573 /nfs/dbraw/zinc/98/65/73/346986573.db2.gz XIHYOWFDTSUNJA-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CC ZINC000606901051 346986570 /nfs/dbraw/zinc/98/65/70/346986570.db2.gz XIHYOWFDTSUNJA-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@H+](C)CCCC=C ZINC000606902258 346986144 /nfs/dbraw/zinc/98/61/44/346986144.db2.gz LGVICPKWIZMYAX-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CCCCCC[N@H+](C)CCCCC ZINC000606902286 346986496 /nfs/dbraw/zinc/98/64/96/346986496.db2.gz VJZNQFIWCVWQQY-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCCC[N@H+](C)CCC(C)C ZINC000606902613 346986412 /nfs/dbraw/zinc/98/64/12/346986412.db2.gz FECNBGSAUQEDQK-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCCC[N@H+](C)CC=C(C)C ZINC000606902690 346986485 /nfs/dbraw/zinc/98/64/85/346986485.db2.gz QOPHPEROFCAHDP-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=C(C)C[N@@H+](CC)CCC(C)(C)CC ZINC000608491952 347002309 /nfs/dbraw/zinc/00/23/09/347002309.db2.gz XMTRKXXDUIMZMS-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCC[N@H+](C)CCC(C)(C)CC ZINC000608501717 347008960 /nfs/dbraw/zinc/00/89/60/347008960.db2.gz RGLUKOABGCBDLY-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CC[N@H+](CCCC)C1CCCCC1 ZINC000621301544 347225657 /nfs/dbraw/zinc/22/56/57/347225657.db2.gz QMERGQIZMPJZQD-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@H+](C(C)C)C1CCC1 ZINC000649383395 410193308 /nfs/dbraw/zinc/19/33/08/410193308.db2.gz QKTKAKUZGCYHCU-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@H+](C)C[C@@H](C)C(C)(C)C ZINC000670264728 486738296 /nfs/dbraw/zinc/73/82/96/486738296.db2.gz QFJLVQMNSQPFNS-GFCCVEGCSA-N 1 1 197.366 3.567 20 30 AHEDMO C=CCCC[N@H+](C)C[C@H](C)C(C)(C)C ZINC000670264729 486738423 /nfs/dbraw/zinc/73/84/23/486738423.db2.gz QFJLVQMNSQPFNS-LBPRGKRZSA-N 1 1 197.366 3.567 20 30 AHEDMO C=CCC[N@@H+](CC(C)C)C(CC)CC ZINC000674007608 486784868 /nfs/dbraw/zinc/78/48/68/486784868.db2.gz NDXIKUOPIVMJBI-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCC[N@H+](CC(C)C)CC(C)(C)C ZINC000675552987 486844003 /nfs/dbraw/zinc/84/40/03/486844003.db2.gz ZMVJYDLMTQIQSN-UHFFFAOYSA-N 1 1 197.366 3.567 20 30 AHEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCCC ZINC000676041868 486854911 /nfs/dbraw/zinc/85/49/11/486854911.db2.gz PKTDLXFGAPTNSO-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCCC ZINC000676041885 486854463 /nfs/dbraw/zinc/85/44/63/486854463.db2.gz PKTDLXFGAPTNSO-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCC[N@@H+]1CCC[C@H]1CCCCC ZINC000676042206 486854390 /nfs/dbraw/zinc/85/43/90/486854390.db2.gz UXEDFAJDJHPDHB-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCCC ZINC000676042208 486855315 /nfs/dbraw/zinc/85/53/15/486855315.db2.gz UXEDFAJDJHPDHB-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@H+](C)C1CCCC1 ZINC000678270489 486929976 /nfs/dbraw/zinc/92/99/76/486929976.db2.gz CIYDJNXKSZNLQH-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(CC)C[N@@H+](C)C1CCCCCC1 ZINC000678623273 486940748 /nfs/dbraw/zinc/94/07/48/486940748.db2.gz MDMNNBCTPYNQIN-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(CC)C[N@H+](CC)C1CCCCC1 ZINC000678623739 486940306 /nfs/dbraw/zinc/94/03/06/486940306.db2.gz VCJFZVPBGKXFCM-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(CC)C[N@H+](C(CC)CC)C1CC1 ZINC000678624017 486941777 /nfs/dbraw/zinc/94/17/77/486941777.db2.gz QPXAGXIWOCHTSY-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=C(CC)C[N@@H+](C(C)C)C1CCCC1 ZINC000678624892 486941569 /nfs/dbraw/zinc/94/15/69/486941569.db2.gz JCROISREWAHVNU-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCCC[N@H+](C)CC(=C)CC ZINC000678625039 486941834 /nfs/dbraw/zinc/94/18/34/486941834.db2.gz XELQDDHYBOFACX-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=C)C ZINC000678714664 486943455 /nfs/dbraw/zinc/94/34/55/486943455.db2.gz IACBAFMTWKOLBY-CYBMUJFWSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=C)C ZINC000678714665 486943555 /nfs/dbraw/zinc/94/35/55/486943555.db2.gz IACBAFMTWKOLBY-ZDUSSCGKSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CCCC[C@@H](C)[N@H+](C)CCC(C)C ZINC000678715485 486944384 /nfs/dbraw/zinc/94/43/84/486944384.db2.gz USBNXAGHYAIIIB-CYBMUJFWSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@H](C)[N@H+](C)CCC(C)C ZINC000678715486 486944688 /nfs/dbraw/zinc/94/46/88/486944688.db2.gz USBNXAGHYAIIIB-ZDUSSCGKSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(C)(C)C ZINC000678715605 486944708 /nfs/dbraw/zinc/94/47/08/486944708.db2.gz ZIAMQVPQHFYMRS-GFCCVEGCSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000678715606 486944257 /nfs/dbraw/zinc/94/42/57/486944257.db2.gz ZIAMQVPQHFYMRS-LBPRGKRZSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@@H](C)[N@@H+](C)CCCC=C ZINC000678716118 486944352 /nfs/dbraw/zinc/94/43/52/486944352.db2.gz POEGEVWQORFOMQ-CYBMUJFWSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CCCC[C@H](C)[N@@H+](C)CCCC=C ZINC000678716319 486944885 /nfs/dbraw/zinc/94/48/85/486944885.db2.gz POEGEVWQORFOMQ-ZDUSSCGKSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CCCC[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC000678717089 486945592 /nfs/dbraw/zinc/94/55/92/486945592.db2.gz ZUHZDANEJKCYPX-CHWSQXEVSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@H](C)[N@H+](C)C[C@H](C)CC ZINC000678717090 486945607 /nfs/dbraw/zinc/94/56/07/486945607.db2.gz ZUHZDANEJKCYPX-OLZOCXBDSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@@H](C)[N@H+](C)C[C@@H](C)CC ZINC000678717091 486945557 /nfs/dbraw/zinc/94/55/57/486945557.db2.gz ZUHZDANEJKCYPX-QWHCGFSZSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC000678717092 486946075 /nfs/dbraw/zinc/94/60/75/486946075.db2.gz ZUHZDANEJKCYPX-STQMWFEESA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[N@@H+]1CCCC[C@H]1CCC ZINC000680433901 486985148 /nfs/dbraw/zinc/98/51/48/486985148.db2.gz CDSDGLGYRKSADB-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CCC ZINC000680433902 486985394 /nfs/dbraw/zinc/98/53/94/486985394.db2.gz CDSDGLGYRKSADB-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1CCC ZINC000680434455 486984809 /nfs/dbraw/zinc/98/48/09/486984809.db2.gz PXSDCLFNHRYIHQ-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1CCC ZINC000680434456 486985243 /nfs/dbraw/zinc/98/52/43/486985243.db2.gz PXSDCLFNHRYIHQ-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@H+](CCCCC)C(C)C ZINC000681399175 487021131 /nfs/dbraw/zinc/02/11/31/487021131.db2.gz OWISTQYHOUZAGM-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=C(C)CC[N@H+](CC)C1CCCCC1 ZINC000681399196 487020503 /nfs/dbraw/zinc/02/05/03/487020503.db2.gz PGGNAGZNAWWXFC-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@H+](C)C1CCCCCC1 ZINC000681401449 487021170 /nfs/dbraw/zinc/02/11/70/487021170.db2.gz USJVCCXDIVPPTQ-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@H+](C(CC)CC)C1CC1 ZINC000681402190 487020318 /nfs/dbraw/zinc/02/03/18/487020318.db2.gz WQCDIDZOCDKZCG-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCCC[N@H+](C)CCC(=C)C ZINC000681403875 487022310 /nfs/dbraw/zinc/02/23/10/487022310.db2.gz MCMLMWOQXJTZBF-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CC ZINC000681404112 487021893 /nfs/dbraw/zinc/02/18/93/487021893.db2.gz QKYBDMZLJFYGGW-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CC ZINC000681404114 487022255 /nfs/dbraw/zinc/02/22/55/487022255.db2.gz QKYBDMZLJFYGGW-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@H+](C(C)C)C1CCCC1 ZINC000681405937 487022047 /nfs/dbraw/zinc/02/20/47/487022047.db2.gz MKPOZFLJSRBONM-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CCC ZINC000681412780 487022901 /nfs/dbraw/zinc/02/29/01/487022901.db2.gz VZYYGQWLJRJXMC-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CCC ZINC000681412781 487023151 /nfs/dbraw/zinc/02/31/51/487023151.db2.gz VZYYGQWLJRJXMC-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@H+](C)[C@H](C)C(C)C ZINC000682075764 487044204 /nfs/dbraw/zinc/04/42/04/487044204.db2.gz ZKBCFJYPFNSAAQ-CYBMUJFWSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(C)C ZINC000682075775 487044127 /nfs/dbraw/zinc/04/41/27/487044127.db2.gz ZKBCFJYPFNSAAQ-ZDUSSCGKSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1C ZINC000683779215 487096517 /nfs/dbraw/zinc/09/65/17/487096517.db2.gz IACOCQBMKSPRRW-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1C ZINC000683779216 487096845 /nfs/dbraw/zinc/09/68/45/487096845.db2.gz IACOCQBMKSPRRW-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@H+](CC)CC(=C)C ZINC000683779284 487096509 /nfs/dbraw/zinc/09/65/09/487096509.db2.gz WSJRZGVTZLDRFL-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CCCCCC[N@H+](C(C)C)C1CC1 ZINC000683779638 487096499 /nfs/dbraw/zinc/09/64/99/487096499.db2.gz JTSXUQGRTLYTBO-UHFFFAOYSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCCC[N@H+](CCC)C1CC1 ZINC000683780628 487096540 /nfs/dbraw/zinc/09/65/40/487096540.db2.gz MWKAQCOJLYACIL-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CC ZINC000683780696 487097000 /nfs/dbraw/zinc/09/70/00/487097000.db2.gz PQIYDSZDMXQGLC-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CC ZINC000683780697 487096483 /nfs/dbraw/zinc/09/64/83/487096483.db2.gz PQIYDSZDMXQGLC-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@@H+]1CCCC1(C)C ZINC000683780752 487096925 /nfs/dbraw/zinc/09/69/25/487096925.db2.gz RALRNMBWDYHZDY-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000683781667 487097821 /nfs/dbraw/zinc/09/78/21/487097821.db2.gz FANVDXCDIBHINW-BETUJISGSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCCC[N@H+](CC)C1CCC1 ZINC000683782204 487097556 /nfs/dbraw/zinc/09/75/56/487097556.db2.gz POUSHICIGGCIHD-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCC[N@H+](C)C(C)(C)CC ZINC000683783732 487097551 /nfs/dbraw/zinc/09/75/51/487097551.db2.gz OQORHZCQBYTKNV-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCC[N@H+](C)C1CCCCCCC1 ZINC000739911706 582724593 /nfs/dbraw/zinc/72/45/93/582724593.db2.gz AJZORXNCKUTZEF-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO CCCCCCC[N@@H+](C)[C@H](C)C1CC1 ZINC000740875849 582730999 /nfs/dbraw/zinc/73/09/99/582730999.db2.gz HNPLUMPBLVFDFZ-GFCCVEGCSA-N 1 1 197.366 3.687 20 30 AHEDMO CCCCCCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000740875850 582730755 /nfs/dbraw/zinc/73/07/55/582730755.db2.gz HNPLUMPBLVFDFZ-LBPRGKRZSA-N 1 1 197.366 3.687 20 30 AHEDMO C=CC[N@H+](CCC(C)(C)CC)C(C)C ZINC000743841178 582738165 /nfs/dbraw/zinc/73/81/65/582738165.db2.gz HGHBMMHUAVUZQI-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=C(C)C[N@H+](C)C1CCCCCCC1 ZINC000748806300 582753745 /nfs/dbraw/zinc/75/37/45/582753745.db2.gz WPUOBUYSVLJPGN-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO CCCCCCC[N@H+]1CCC=C(F)C1 ZINC000778960057 582872161 /nfs/dbraw/zinc/87/21/61/582872161.db2.gz JAIOEYQNYRIYNS-UHFFFAOYSA-N 1 1 199.313 3.516 20 30 AHEDMO C=CCCCCC[N@@H+](CC=C)C(C)C ZINC000785661750 582893328 /nfs/dbraw/zinc/89/33/28/582893328.db2.gz VNEPNKBZEOBVGG-UHFFFAOYSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CC[N@@H+](C[C@@H](C)C(C)(C)C)C(C)C ZINC000802638380 674018429 /nfs/dbraw/zinc/01/84/29/674018429.db2.gz NQMVYBFFZPBHKS-GFCCVEGCSA-N 1 1 197.366 3.565 20 30 AHEDMO CCCCCCC[N@H+]1C[C@H](C)C[C@H]1C ZINC001167477279 760864188 /nfs/dbraw/zinc/86/41/88/760864188.db2.gz CEMRKCRBVQVZTK-CHWSQXEVSA-N 1 1 197.366 3.687 20 30 AHEDMO CCCCCCC[N@H+]1C[C@@H](C)C[C@H]1C ZINC001167477280 760864866 /nfs/dbraw/zinc/86/48/66/760864866.db2.gz CEMRKCRBVQVZTK-QWHCGFSZSA-N 1 1 197.366 3.687 20 30 AHEDMO CCCCCCCC[N@@H+](C)C1CCC1 ZINC001167505525 760865756 /nfs/dbraw/zinc/86/57/56/760865756.db2.gz UAVCMUJDWRFUFL-UHFFFAOYSA-N 1 1 197.366 3.831 20 30 AHEDMO C=CCC[N@H+](C)CCCCCCCC ZINC001169342358 760977850 /nfs/dbraw/zinc/97/78/50/760977850.db2.gz KWYDDSPUEFULTD-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=C(C)C[N@H+](CC)[C@H](CC)CC(C)C ZINC001172403617 761145007 /nfs/dbraw/zinc/14/50/07/761145007.db2.gz MXELWOCJRXVTPR-CYBMUJFWSA-N 1 1 197.366 3.709 20 30 AHEDMO C=C(C)C[N@H+](CC)[C@@H](CC)CC(C)C ZINC001172403618 761153863 /nfs/dbraw/zinc/15/38/63/761153863.db2.gz MXELWOCJRXVTPR-ZDUSSCGKSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CC[N@H+](C)[C@H](CCCC)CC(C)C ZINC001173256769 761224321 /nfs/dbraw/zinc/22/43/21/761224321.db2.gz UKIHUEVLBWFRAK-CYBMUJFWSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CC[N@H+](C)[C@@H](CCCC)CC(C)C ZINC001173256771 761221131 /nfs/dbraw/zinc/22/11/31/761221131.db2.gz UKIHUEVLBWFRAK-ZDUSSCGKSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CC[N@H+](CC(CC)CC)C(C)(C)C ZINC001174643033 761353100 /nfs/dbraw/zinc/35/31/00/761353100.db2.gz ZQULHFZOVSFJOF-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=C(CC)C[N@H+]1[C@H](CC)CCC[C@@H]1C ZINC001174779635 761359150 /nfs/dbraw/zinc/35/91/50/761359150.db2.gz HXANQMFZBHSGRO-QWHCGFSZSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCC[N@H+](CC)[C@H](C)[C@H](C)CC ZINC001176798505 761439505 /nfs/dbraw/zinc/43/95/05/761439505.db2.gz QXFNYWHJIPYNJB-CHWSQXEVSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[N@H+](CC)[C@@H](C)[C@H](C)CC ZINC001176798506 761441794 /nfs/dbraw/zinc/44/17/94/761441794.db2.gz QXFNYWHJIPYNJB-OLZOCXBDSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[N@H+](CC)[C@H](C)[C@@H](C)CC ZINC001176798507 761444644 /nfs/dbraw/zinc/44/46/44/761444644.db2.gz QXFNYWHJIPYNJB-QWHCGFSZSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[N@H+](CC)[C@@H](C)[C@@H](C)CC ZINC001176798508 761439329 /nfs/dbraw/zinc/43/93/29/761439329.db2.gz QXFNYWHJIPYNJB-STQMWFEESA-N 1 1 197.366 3.709 20 30 AHEDMO C=CC[N@H+](CCCCC(C)C)C(C)C ZINC001179997055 761478306 /nfs/dbraw/zinc/47/83/06/761478306.db2.gz BMLPUPHPTJVLJS-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=C(C)CC[N@H+](CC)CC(CC)CC ZINC001190324907 761593214 /nfs/dbraw/zinc/59/32/14/761593214.db2.gz IDKCEVXUVHJZER-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO CCCCCCCC[N@@H+](CC)C1CC1 ZINC001190331338 761593449 /nfs/dbraw/zinc/59/34/49/761593449.db2.gz FFUZFDMOSMUAFI-UHFFFAOYSA-N 1 1 197.366 3.831 20 30 AHEDMO C=CCC[N@H+](C)C[C@H](CC)CCCC ZINC001193472933 761624582 /nfs/dbraw/zinc/62/45/82/761624582.db2.gz KVYIAXPGHZNJPI-CYBMUJFWSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCC[N@H+](C)C[C@@H](CC)CCCC ZINC001193472941 761623434 /nfs/dbraw/zinc/62/34/34/761623434.db2.gz KVYIAXPGHZNJPI-ZDUSSCGKSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCC[N@H+](CC)C1CCCC1 ZINC001194221022 761662971 /nfs/dbraw/zinc/66/29/71/761662971.db2.gz HDNHGNYEWUSBJZ-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@H+]1[C@H](C)CCC1(C)C ZINC001195074018 761682298 /nfs/dbraw/zinc/68/22/98/761682298.db2.gz BDJANOZYFZSPQY-GFCCVEGCSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCC[N@H+]1[C@@H](C)CCC1(C)C ZINC001195074019 761684282 /nfs/dbraw/zinc/68/42/82/761684282.db2.gz BDJANOZYFZSPQY-LBPRGKRZSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCC[N@H+](C)CCC(C)(C)C ZINC001195497370 761700240 /nfs/dbraw/zinc/70/02/40/761700240.db2.gz HXCPVVGYKVEAEN-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CC[N@H+](CCC=C(C)C)C(C)(C)C ZINC001196198254 761708599 /nfs/dbraw/zinc/70/85/99/761708599.db2.gz HRBSROXQYQXKFY-UHFFFAOYSA-N 1 1 195.350 3.629 20 30 AHEDMO CCCCCCC[N@@H+](C)CC1CCC1 ZINC001198414106 761710788 /nfs/dbraw/zinc/71/07/88/761710788.db2.gz BIQNQTUPUVXWBF-UHFFFAOYSA-N 1 1 197.366 3.689 20 30 AHEDMO C=CCCC[N@H+](CC)CCC=C(C)C ZINC001198458587 761711392 /nfs/dbraw/zinc/71/13/92/761711392.db2.gz VYKSTKLEAHQNJQ-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CCCCC[N@H+](C)CC(CC)CC ZINC001201535313 761776362 /nfs/dbraw/zinc/77/63/62/761776362.db2.gz JQSASXORWMNXJE-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CC[N@H+](C[C@H](C)CCC)C(C)(C)C ZINC001201553105 761783552 /nfs/dbraw/zinc/78/35/52/761783552.db2.gz GUBCJGBKDYNTLB-GFCCVEGCSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CC[N@H+](C[C@@H](C)CCC)C(C)(C)C ZINC001201553106 761785289 /nfs/dbraw/zinc/78/52/89/761785289.db2.gz GUBCJGBKDYNTLB-LBPRGKRZSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCCC[N@H+](C)C[C@H](C)CCC ZINC001201553113 761781978 /nfs/dbraw/zinc/78/19/78/761781978.db2.gz GWYSLBWDCMWUAS-CYBMUJFWSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCC[N@H+](C)C[C@@H](C)CCC ZINC001201553114 761781349 /nfs/dbraw/zinc/78/13/49/761781349.db2.gz GWYSLBWDCMWUAS-ZDUSSCGKSA-N 1 1 197.366 3.711 20 30 AHEDMO CCCCCCC[N@@H+](C)CCC(C)C ZINC001201620077 761798208 /nfs/dbraw/zinc/79/82/08/761798208.db2.gz FMXMLRHJNRCROT-UHFFFAOYSA-N 1 1 199.382 3.935 20 30 AHEDMO C=CCCCC[N@H+](C)CCCCCC ZINC001201754462 761810180 /nfs/dbraw/zinc/81/01/80/761810180.db2.gz YUKQVQMCUZEWCK-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CC[N@H+](CCCCCC)C(C)(C)C ZINC001201756506 761810386 /nfs/dbraw/zinc/81/03/86/761810386.db2.gz KOPIYTNFYSAGQM-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO CCCCCCC[N@H+]1CCCC12CC2 ZINC001201761310 761811250 /nfs/dbraw/zinc/81/12/50/761811250.db2.gz AJILAPUBCHTLDN-UHFFFAOYSA-N 1 1 195.350 3.585 20 30 AHEDMO CCCCCCC[N@@H+](C)C1CC(C)C1 ZINC001201761732 761809577 /nfs/dbraw/zinc/80/95/77/761809577.db2.gz QDNPGYXXXKLTAI-UHFFFAOYSA-N 1 1 197.366 3.687 20 30 AHEDMO CCCCCCC[N@@H+](C)C(C)(C)C ZINC001201776983 761811008 /nfs/dbraw/zinc/81/10/08/761811008.db2.gz RFLWQWFXUPLOPR-UHFFFAOYSA-N 1 1 185.355 3.687 20 30 AHEDMO CCCCCCC[N@@H+](C)C1CCCC1 ZINC001201787612 761811451 /nfs/dbraw/zinc/81/14/51/761811451.db2.gz GFYYYWHXMCOVEM-UHFFFAOYSA-N 1 1 197.366 3.831 20 30 AHEDMO C=C(C)C[N@H+](CC)CCCCCCC ZINC001201787736 761809718 /nfs/dbraw/zinc/80/97/18/761809718.db2.gz JJJFLSCGQUPUBC-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO CCCCCCC[N@@H+](C)CCC1CC1 ZINC001201798028 761810314 /nfs/dbraw/zinc/81/03/14/761810314.db2.gz LUEZVRYUKCPYAP-UHFFFAOYSA-N 1 1 197.366 3.689 20 30 AHEDMO CCCCCCCC[N@@H+](C)CC1CC1 ZINC001201804384 761809770 /nfs/dbraw/zinc/80/97/70/761809770.db2.gz JCQHFZDSEYFMFN-UHFFFAOYSA-N 1 1 197.366 3.689 20 30 AHEDMO CCCCCCCC[N@@H+](C)C(C)C ZINC001201804432 761811772 /nfs/dbraw/zinc/81/17/72/761811772.db2.gz JUZUZJHYUSQXCI-UHFFFAOYSA-N 1 1 185.355 3.687 20 30 AHEDMO CCCCCCCCC[N@@H+](C)C1CC1 ZINC001201839027 761811797 /nfs/dbraw/zinc/81/17/97/761811797.db2.gz HZMGLFWXDVJPER-UHFFFAOYSA-N 1 1 197.366 3.831 20 30 AHEDMO CCCCCCC[N@@H+](CC)CC1CC1 ZINC001201917779 761813759 /nfs/dbraw/zinc/81/37/59/761813759.db2.gz DOADNEGTKOLFBY-UHFFFAOYSA-N 1 1 197.366 3.689 20 30 AHEDMO C=CC[N@H+](CCC(C)(C)C)C(C)(C)C ZINC001202115494 761816470 /nfs/dbraw/zinc/81/64/70/761816470.db2.gz ZSJXMXGONWZDCL-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=C(C)C[N@H+](CC)CCC/C=C\CC ZINC001208136066 762221765 /nfs/dbraw/zinc/22/17/65/762221765.db2.gz QMGNGQNNZPZQRK-FPLPWBNLSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CC[N@H+](C)CCCCC/C=C\CC ZINC001208193941 762227333 /nfs/dbraw/zinc/22/73/33/762227333.db2.gz JFCSGOSQBDWAKM-SREVYHEPSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CC[N@H+](C)CC[C@@H](C)CC(C)(C)C ZINC001208662707 762232367 /nfs/dbraw/zinc/23/23/67/762232367.db2.gz DDQCYCSXWIPYRA-GFCCVEGCSA-N 1 1 197.366 3.567 20 30 AHEDMO C=CC[N@H+](C)CC[C@H](C)CC(C)(C)C ZINC001208662716 762238827 /nfs/dbraw/zinc/23/88/27/762238827.db2.gz DDQCYCSXWIPYRA-LBPRGKRZSA-N 1 1 197.366 3.567 20 30 AHEDMO C=CCCCC[N@H+](C)CC/C=C\CC ZINC001208729771 762267568 /nfs/dbraw/zinc/26/75/68/762267568.db2.gz JRFAQNYCSHTFIC-CLFYSBASSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CC[N@H+](CC/C=C\CC)C(C)(C)C ZINC001208732565 762264438 /nfs/dbraw/zinc/26/44/38/762264438.db2.gz CJTFGWSVWDIWIW-HJWRWDBZSA-N 1 1 195.350 3.629 20 30 AHEDMO C=CCCCC[N@H+](C)CCCC(C)C ZINC001208736122 762260212 /nfs/dbraw/zinc/26/02/12/762260212.db2.gz BXLPVMGFUGAVLF-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CC[N@H+](CCCC(C)C)C(C)(C)C ZINC001208736872 762268142 /nfs/dbraw/zinc/26/81/42/762268142.db2.gz CJSMUHFVIHCVQA-UHFFFAOYSA-N 1 1 197.366 3.709 20 30 AHEDMO C=CCCC[N@H+](C)CCCCCCC ZINC001209162407 762282692 /nfs/dbraw/zinc/28/26/92/762282692.db2.gz XZVVZDGFQVOBFG-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC001209200377 762283698 /nfs/dbraw/zinc/28/36/98/762283698.db2.gz CTHMPWKEEZTEQQ-BETUJISGSA-N 1 1 195.350 3.606 20 30 AHEDMO C=CCCCC[N@H+](C)C1CCCCC1 ZINC001209201237 762284160 /nfs/dbraw/zinc/28/41/60/762284160.db2.gz NDHSXDRSLGOFPD-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@H+](CCC)[C@H](C)CC ZINC001209202073 762288912 /nfs/dbraw/zinc/28/89/12/762288912.db2.gz YPGHRPALBANYHY-CYBMUJFWSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCC[N@H+](CCC)[C@@H](C)CC ZINC001209202074 762289509 /nfs/dbraw/zinc/28/95/09/762289509.db2.gz YPGHRPALBANYHY-ZDUSSCGKSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCC[N@@H+]1CCCCC[C@H]1C ZINC001209203232 762289092 /nfs/dbraw/zinc/28/90/92/762289092.db2.gz VLMSMYJOWUSOOE-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@@H+]1CCCCC[C@@H]1C ZINC001209203233 762292310 /nfs/dbraw/zinc/29/23/10/762292310.db2.gz VLMSMYJOWUSOOE-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@H+](CCC)CCCC ZINC001209203301 762291952 /nfs/dbraw/zinc/29/19/52/762291952.db2.gz WDOVIXUQDUIHJQ-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCC[N@@H+]1CCCC[C@H]1CC ZINC001209204673 762290071 /nfs/dbraw/zinc/29/00/71/762290071.db2.gz HULYJABKISHAIT-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1CC ZINC001209204674 762291267 /nfs/dbraw/zinc/29/12/67/762291267.db2.gz HULYJABKISHAIT-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCC[N@H+](CC)C(CC)CC ZINC001209205419 762290257 /nfs/dbraw/zinc/29/02/57/762290257.db2.gz XIGZXXUWYQMWTA-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCC[N@H+](CCC)CC(C)C ZINC001209206993 762287372 /nfs/dbraw/zinc/28/73/72/762287372.db2.gz GSRAWVYDCNULIZ-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCC[N@@H+](CC=C)C(C)(C)C ZINC001209207954 762291990 /nfs/dbraw/zinc/29/19/90/762291990.db2.gz IMHKBNAOQITZRR-UHFFFAOYSA-N 1 1 195.350 3.629 20 30 AHEDMO CCCCCCC[N@@H+](C)C[C@H]1C[C@H]1C ZINC001209421433 762308573 /nfs/dbraw/zinc/30/85/73/762308573.db2.gz PNRPUSRHWIHIFJ-CHWSQXEVSA-N 1 1 197.366 3.545 20 30 AHEDMO CCCCCCC[N@@H+](C)C[C@@H]1C[C@H]1C ZINC001209421434 762308867 /nfs/dbraw/zinc/30/88/67/762308867.db2.gz PNRPUSRHWIHIFJ-OLZOCXBDSA-N 1 1 197.366 3.545 20 30 AHEDMO CCCCCCC[N@@H+](C)C[C@H]1C[C@@H]1C ZINC001209421435 762306499 /nfs/dbraw/zinc/30/64/99/762306499.db2.gz PNRPUSRHWIHIFJ-QWHCGFSZSA-N 1 1 197.366 3.545 20 30 AHEDMO CCCCCCC[N@@H+](C)C[C@@H]1C[C@@H]1C ZINC001209421436 762307519 /nfs/dbraw/zinc/30/75/19/762307519.db2.gz PNRPUSRHWIHIFJ-STQMWFEESA-N 1 1 197.366 3.545 20 30 AHEDMO C=CCCCCC[N@H+](CC)CCCC ZINC001209423588 762311891 /nfs/dbraw/zinc/31/18/91/762311891.db2.gz SYTMLLMOUMRFIC-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCCC[N@H+](C)CC(C)(C)C ZINC001209427565 762312200 /nfs/dbraw/zinc/31/22/00/762312200.db2.gz STOQATHZDNPXJA-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCCC[N@H+](C)C(CC)CC ZINC001209429214 762314513 /nfs/dbraw/zinc/31/45/13/762314513.db2.gz WQEHEWIPQMOUEC-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCC[N@H+](CC)C1CC1 ZINC001209430946 762310804 /nfs/dbraw/zinc/31/08/04/762310804.db2.gz FGIYVNUTUYQVBX-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCC[N@@H+]1CCC[C@H]1C ZINC001209431433 762312008 /nfs/dbraw/zinc/31/20/08/762312008.db2.gz NWEVJOXGAGIZAX-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCC[N@@H+]1CCC[C@@H]1C ZINC001209431435 762314076 /nfs/dbraw/zinc/31/40/76/762314076.db2.gz NWEVJOXGAGIZAX-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCC[N@H+](C)CCCC ZINC001209431539 762312328 /nfs/dbraw/zinc/31/23/28/762312328.db2.gz PKPCALXHACSTFT-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCCCC[N@H+](C)CC(C)C ZINC001209431935 762312451 /nfs/dbraw/zinc/31/24/51/762312451.db2.gz WHZYZCLZCLINQP-UHFFFAOYSA-N 1 1 197.366 3.711 20 30 AHEDMO C=CCCCCCC[N@H+](CC)CCC ZINC001209431984 762311344 /nfs/dbraw/zinc/31/13/44/762311344.db2.gz XEXDLRXDQBAWLI-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCCCC[N@H+](CC)C(C)C ZINC001209431995 762313833 /nfs/dbraw/zinc/31/38/33/762313833.db2.gz XJENIQBWIWFBEZ-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCC[N@H+](C)[C@H](C)CC ZINC001209435439 762311084 /nfs/dbraw/zinc/31/10/84/762311084.db2.gz JSLJCTWDAIEDRU-CYBMUJFWSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCC[N@H+](C)[C@@H](C)CC ZINC001209435440 762312134 /nfs/dbraw/zinc/31/21/34/762312134.db2.gz JSLJCTWDAIEDRU-ZDUSSCGKSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCC[N@H+](C)C(C)(C)C ZINC001209435798 762318576 /nfs/dbraw/zinc/31/85/76/762318576.db2.gz JRBOZDXNVFSQKO-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCCC[N@H+](C)C1CC1 ZINC001209438013 762316272 /nfs/dbraw/zinc/31/62/72/762316272.db2.gz BUAFNYZHKNRXSS-UHFFFAOYSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCCC[N@H+](C)CCC ZINC001209438444 762315386 /nfs/dbraw/zinc/31/53/86/762315386.db2.gz LHNQCHPRLKHCJQ-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO C=CCCCCCCC[N@H+](C)C(C)C ZINC001209438663 762318966 /nfs/dbraw/zinc/31/89/66/762318966.db2.gz RJZMWJMHYLCJTL-UHFFFAOYSA-N 1 1 197.366 3.853 20 30 AHEDMO C=CCCCCCCC[N@@H+]1CC[C@H]1C ZINC001209438678 762315543 /nfs/dbraw/zinc/31/55/43/762315543.db2.gz SEPXCSFIVJCEKZ-CYBMUJFWSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]1C ZINC001209438679 762317866 /nfs/dbraw/zinc/31/78/66/762317866.db2.gz SEPXCSFIVJCEKZ-ZDUSSCGKSA-N 1 1 195.350 3.607 20 30 AHEDMO C=CCCCCCCC[N@H+](C)CC=C ZINC001209439125 762315444 /nfs/dbraw/zinc/31/54/44/762315444.db2.gz IHNRBATWBANBRB-UHFFFAOYSA-N 1 1 195.350 3.631 20 30 AHEDMO C=CCCCCCCCC[N@H+](C)CC ZINC001209442267 762317830 /nfs/dbraw/zinc/31/78/30/762317830.db2.gz DGDDKQMZWMWCLT-UHFFFAOYSA-N 1 1 197.366 3.855 20 30 AHEDMO