smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000584886543 468955615 /nfs/dbraw/zinc/95/56/15/468955615.db2.gz HDTSYIIKUJRVAI-UHFFFAOYSA-N 2 2 348.516 2.226 50 30 EEEALP C=CC[N@@H+]1CCC=C(C[NH+]2CCC[C@H](NC(=O)c3ccco3)C2)C1 ZINC000067921550 463068245 /nfs/dbraw/zinc/06/82/45/463068245.db2.gz YOVHOARPUWWEDJ-KRWDZBQOSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[N@H+]1CCC=C(C[NH+]2CCC[C@H](NC(=O)c3ccco3)C2)C1 ZINC000067921550 463068247 /nfs/dbraw/zinc/06/82/47/463068247.db2.gz YOVHOARPUWWEDJ-KRWDZBQOSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[NH+]1CCC=C(C[N@@H+]2CCC[C@H](NC(=O)c3ccco3)C2)C1 ZINC000067921550 463068250 /nfs/dbraw/zinc/06/82/50/463068250.db2.gz YOVHOARPUWWEDJ-KRWDZBQOSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[NH+]1CCC=C(C[N@H+]2CCC[C@H](NC(=O)c3ccco3)C2)C1 ZINC000067921550 463068253 /nfs/dbraw/zinc/06/82/53/463068253.db2.gz YOVHOARPUWWEDJ-KRWDZBQOSA-N 2 2 329.444 2.292 50 30 EEEALP N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200500 463345280 /nfs/dbraw/zinc/34/52/80/463345280.db2.gz IJVNJXWECZLJKB-CYBMUJFWSA-N 2 2 341.440 2.387 50 30 EEEALP N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000097200500 463345288 /nfs/dbraw/zinc/34/52/88/463345288.db2.gz IJVNJXWECZLJKB-CYBMUJFWSA-N 2 2 341.440 2.387 50 30 EEEALP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000103337611 463400056 /nfs/dbraw/zinc/40/00/56/463400056.db2.gz SPANGSLNQJRKMS-KRWDZBQOSA-N 2 2 330.432 2.256 50 30 EEEALP C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015074341 518919481 /nfs/dbraw/zinc/91/94/81/518919481.db2.gz HLERGTQFAYACJS-GOSISDBHSA-N 2 2 342.487 2.060 50 30 EEEALP C=CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015074341 518919485 /nfs/dbraw/zinc/91/94/85/518919485.db2.gz HLERGTQFAYACJS-GOSISDBHSA-N 2 2 342.487 2.060 50 30 EEEALP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1OCC ZINC000020064277 212098585 /nfs/dbraw/zinc/09/85/85/212098585.db2.gz XHKWFHXZHCEVTQ-UHFFFAOYSA-N 2 2 334.460 2.462 50 30 EEEALP COc1c2c(cc3c1[C@H](C#CC[NH+]1CCCC1)[N@H+](C)CC3)OCO2 ZINC000000487090 462566561 /nfs/dbraw/zinc/56/65/61/462566561.db2.gz GBBHOVXMTWFAEM-HNNXBMFYSA-N 2 2 328.412 2.052 50 30 biogenic EEEALP COc1c2c(cc3c1[C@H](C#CC[NH+]1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000000487090 462566566 /nfs/dbraw/zinc/56/65/66/462566566.db2.gz GBBHOVXMTWFAEM-HNNXBMFYSA-N 2 2 328.412 2.052 50 30 biogenic EEEALP Cc1ccc(C#N)c(N2CCC[C@@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095530182 463105739 /nfs/dbraw/zinc/10/57/39/463105739.db2.gz QEHBZBCMICCVHI-QGZVFWFLSA-N 2 2 338.459 2.404 50 30 EEEALP N#CC1(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000097200576 463345022 /nfs/dbraw/zinc/34/50/22/463345022.db2.gz ACTUYEHBBHKMHQ-MRXNPFEDSA-N 2 2 341.459 2.158 50 30 EEEALP N#CC1(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000097200576 463345026 /nfs/dbraw/zinc/34/50/26/463345026.db2.gz ACTUYEHBBHKMHQ-MRXNPFEDSA-N 2 2 341.459 2.158 50 30 EEEALP CCN(C)c1cc[nH+]c(N2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000067674726 463034483 /nfs/dbraw/zinc/03/44/83/463034483.db2.gz MZYSQVILHCMMAW-UHFFFAOYSA-N 2 2 336.443 2.127 50 30 EEEALP COc1ccc([C@@H]2NC(=[NH2+])NC(Nc3ccccc3)=[NH+]2)cc1OC ZINC000019798672 463023041 /nfs/dbraw/zinc/02/30/41/463023041.db2.gz MAEYMGYDYJVMAQ-OAHLLOKOSA-N 2 2 325.372 2.107 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000072462935 203228067 /nfs/dbraw/zinc/22/80/67/203228067.db2.gz ZGHDYAAUPHXDSR-QGZVFWFLSA-N 2 2 338.459 2.128 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000072462935 203228070 /nfs/dbraw/zinc/22/80/70/203228070.db2.gz ZGHDYAAUPHXDSR-QGZVFWFLSA-N 2 2 338.459 2.128 50 30 EEEALP Cc1ccc(C#N)c(N2CCC(c3[nH+]ccn3CC[NH+](C)C)CC2)n1 ZINC000091892861 462912327 /nfs/dbraw/zinc/91/23/27/462912327.db2.gz DBSXARAYRLDFRQ-UHFFFAOYSA-N 2 2 338.459 2.404 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000077357452 462973112 /nfs/dbraw/zinc/97/31/12/462973112.db2.gz UBIRJGSUPNVIDL-UHFFFAOYSA-N 2 2 338.459 2.128 50 30 EEEALP [NH2+]=C(NOC(=O)c1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000064038094 462685821 /nfs/dbraw/zinc/68/58/21/462685821.db2.gz GWYURXGMEYCYPZ-UHFFFAOYSA-N 2 2 339.395 2.206 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1C1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000077438445 462984775 /nfs/dbraw/zinc/98/47/75/462984775.db2.gz XXQCRHLMFLXRLD-UHFFFAOYSA-N 2 2 338.459 2.128 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000072462936 216245947 /nfs/dbraw/zinc/24/59/47/216245947.db2.gz ZGHDYAAUPHXDSR-KRWDZBQOSA-N 2 2 338.459 2.128 50 30 EEEALP Cn1c(C[NH+](C)C)nnc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000072462936 216245949 /nfs/dbraw/zinc/24/59/49/216245949.db2.gz ZGHDYAAUPHXDSR-KRWDZBQOSA-N 2 2 338.459 2.128 50 30 EEEALP [NH2+]=C1NC(Nc2ccc(Cl)cc2)=[NH+][C@@H](c2ccc3c(c2)OCO3)N1 ZINC000096026523 463142630 /nfs/dbraw/zinc/14/26/30/463142630.db2.gz CRBAHNXPHQQJDN-AWEZNQCLSA-N 2 2 343.774 2.472 50 30 EEEALP CCC#CC[N@@H+]1CCC[C@]2(CO)C[NH+](Cc3cccc(O)c3)CC[C@@H]12 ZINC000072154874 463482301 /nfs/dbraw/zinc/48/23/01/463482301.db2.gz KBSKHOGYGAAFEI-NHCUHLMSSA-N 2 2 342.483 2.454 50 30 EEEALP CCC#CC[N@H+]1CCC[C@]2(CO)C[NH+](Cc3cccc(O)c3)CC[C@@H]12 ZINC000072154874 463482308 /nfs/dbraw/zinc/48/23/08/463482308.db2.gz KBSKHOGYGAAFEI-NHCUHLMSSA-N 2 2 342.483 2.454 50 30 EEEALP CCC#CC[NH+]1CCC[C@]2(CO)C[N@H+](Cc3cccc(O)c3)CC[C@@H]12 ZINC000072154874 463482314 /nfs/dbraw/zinc/48/23/14/463482314.db2.gz KBSKHOGYGAAFEI-NHCUHLMSSA-N 2 2 342.483 2.454 50 30 EEEALP CCC#CC[NH+]1CCC[C@]2(CO)C[N@@H+](Cc3cccc(O)c3)CC[C@@H]12 ZINC000072154874 463482318 /nfs/dbraw/zinc/48/23/18/463482318.db2.gz KBSKHOGYGAAFEI-NHCUHLMSSA-N 2 2 342.483 2.454 50 30 EEEALP CCc1c(C)[nH+]c(N)nc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000095382630 218314784 /nfs/dbraw/zinc/31/47/84/218314784.db2.gz UQBLZJWOPAWXAI-UHFFFAOYSA-N 2 2 336.443 2.124 50 30 EEEALP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1 ZINC000065590134 462804158 /nfs/dbraw/zinc/80/41/58/462804158.db2.gz VNGHGFPNFZUZBI-INIZCTEOSA-N 2 2 341.459 2.076 50 30 EEEALP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1 ZINC000065590134 462804163 /nfs/dbraw/zinc/80/41/63/462804163.db2.gz VNGHGFPNFZUZBI-INIZCTEOSA-N 2 2 341.459 2.076 50 30 EEEALP C[NH+]1CCN(c2[nH+]cc3c(c2C#N)N(Cc2ccccc2)CC3)CC1 ZINC000033868768 463425887 /nfs/dbraw/zinc/42/58/87/463425887.db2.gz ABSNOEAXXXQIOL-UHFFFAOYSA-N 2 2 333.439 2.268 50 30 EEEALP CCc1[nH+]c(N)nc(N2CC[NH+](Cc3ccccc3C#N)CC2)c1C ZINC000095375885 463071713 /nfs/dbraw/zinc/07/17/13/463071713.db2.gz KCIKBEAZPKGSJR-UHFFFAOYSA-N 2 2 336.443 2.124 50 30 EEEALP COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)[N@H+](C)CC3)OCO2 ZINC000000487088 274090672 /nfs/dbraw/zinc/09/06/72/274090672.db2.gz GBBHOVXMTWFAEM-OAHLLOKOSA-N 2 2 328.412 2.052 50 30 biogenic EEEALP COc1c2c(cc3c1[C@@H](C#CC[NH+]1CCCC1)[N@@H+](C)CC3)OCO2 ZINC000000487088 274090673 /nfs/dbraw/zinc/09/06/73/274090673.db2.gz GBBHOVXMTWFAEM-OAHLLOKOSA-N 2 2 328.412 2.052 50 30 biogenic EEEALP [NH2+]=C1NC(Nc2ccc(Cl)cc2)=[NH+][C@H](c2ccc3c(c2)OCO3)N1 ZINC000096026522 463142583 /nfs/dbraw/zinc/14/25/83/463142583.db2.gz CRBAHNXPHQQJDN-CQSZACIVSA-N 2 2 343.774 2.472 50 30 EEEALP COc1ccc([C@H]2NC(=[NH2+])NC(Nc3ccccc3)=[NH+]2)cc1OC ZINC000019798670 463022698 /nfs/dbraw/zinc/02/26/98/463022698.db2.gz MAEYMGYDYJVMAQ-HNNXBMFYSA-N 2 2 325.372 2.107 50 30 EEEALP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000103337612 463400473 /nfs/dbraw/zinc/40/04/73/463400473.db2.gz SPANGSLNQJRKMS-QGZVFWFLSA-N 2 2 330.432 2.256 50 30 EEEALP C=CCN1CC[NH+](CCn2cc(C[N@H+]3CCC[C@H](C)C3)c(C)n2)CC1 ZINC000065397977 462764062 /nfs/dbraw/zinc/76/40/62/462764062.db2.gz MGOMUFJRZKUFIH-SFHVURJKSA-N 2 2 345.535 2.227 50 30 EEEALP C=CCN1CC[NH+](CCn2cc(C[N@@H+]3CCC[C@H](C)C3)c(C)n2)CC1 ZINC000065397977 462764068 /nfs/dbraw/zinc/76/40/68/462764068.db2.gz MGOMUFJRZKUFIH-SFHVURJKSA-N 2 2 345.535 2.227 50 30 EEEALP C[NH+](C)CC[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000022790334 212324990 /nfs/dbraw/zinc/32/49/90/212324990.db2.gz GVIVNMIULIHSAT-UHFFFAOYSA-N 2 2 334.489 2.368 50 30 EEEALP C=CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015074342 518929540 /nfs/dbraw/zinc/92/95/40/518929540.db2.gz HLERGTQFAYACJS-SFHVURJKSA-N 2 2 342.487 2.060 50 30 EEEALP C=CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000015074342 518929542 /nfs/dbraw/zinc/92/95/42/518929542.db2.gz HLERGTQFAYACJS-SFHVURJKSA-N 2 2 342.487 2.060 50 30 EEEALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1 ZINC000216402910 241188346 /nfs/dbraw/zinc/18/83/46/241188346.db2.gz JHWNJQLEYYEWJO-KRWDZBQOSA-N 2 2 336.439 2.250 50 30 EEEALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1 ZINC000216402910 241188350 /nfs/dbraw/zinc/18/83/50/241188350.db2.gz JHWNJQLEYYEWJO-KRWDZBQOSA-N 2 2 336.439 2.250 50 30 EEEALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1 ZINC000216402910 241188357 /nfs/dbraw/zinc/18/83/57/241188357.db2.gz JHWNJQLEYYEWJO-KRWDZBQOSA-N 2 2 336.439 2.250 50 30 EEEALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@@H]2C1 ZINC000216402910 241188362 /nfs/dbraw/zinc/18/83/62/241188362.db2.gz JHWNJQLEYYEWJO-KRWDZBQOSA-N 2 2 336.439 2.250 50 30 EEEALP C=CC[N@@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1 ZINC000216504899 534847528 /nfs/dbraw/zinc/84/75/28/534847528.db2.gz YOVHOARPUWWEDJ-QGZVFWFLSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[N@H+]1CCC=C(C[NH+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1 ZINC000216504899 534847529 /nfs/dbraw/zinc/84/75/29/534847529.db2.gz YOVHOARPUWWEDJ-QGZVFWFLSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[NH+]1CCC=C(C[N@@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1 ZINC000216504899 534847533 /nfs/dbraw/zinc/84/75/33/534847533.db2.gz YOVHOARPUWWEDJ-QGZVFWFLSA-N 2 2 329.444 2.292 50 30 EEEALP C=CC[NH+]1CCC=C(C[N@H+]2CCC[C@@H](NC(=O)c3ccco3)C2)C1 ZINC000216504899 534847538 /nfs/dbraw/zinc/84/75/38/534847538.db2.gz YOVHOARPUWWEDJ-QGZVFWFLSA-N 2 2 329.444 2.292 50 30 EEEALP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)c1 ZINC000097200690 463346454 /nfs/dbraw/zinc/34/64/54/463346454.db2.gz SLXUVLOBRFRJTP-MRXNPFEDSA-N 2 2 341.459 2.076 50 30 EEEALP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)c1 ZINC000097200690 463346461 /nfs/dbraw/zinc/34/64/61/463346461.db2.gz SLXUVLOBRFRJTP-MRXNPFEDSA-N 2 2 341.459 2.076 50 30 EEEALP N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200499 201383541 /nfs/dbraw/zinc/38/35/41/201383541.db2.gz IJVNJXWECZLJKB-ZDUSSCGKSA-N 2 2 341.440 2.387 50 30 EEEALP N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000097200499 201383544 /nfs/dbraw/zinc/38/35/44/201383544.db2.gz IJVNJXWECZLJKB-ZDUSSCGKSA-N 2 2 341.440 2.387 50 30 EEEALP C[N@@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1 ZINC000225341112 464156187 /nfs/dbraw/zinc/15/61/87/464156187.db2.gz JHWNJQLEYYEWJO-QGZVFWFLSA-N 2 2 336.439 2.250 50 30 EEEALP C[N@H+]1CCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1 ZINC000225341112 464156194 /nfs/dbraw/zinc/15/61/94/464156194.db2.gz JHWNJQLEYYEWJO-QGZVFWFLSA-N 2 2 336.439 2.250 50 30 EEEALP C[NH+]1CCN2CC[N@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1 ZINC000225341112 464156199 /nfs/dbraw/zinc/15/61/99/464156199.db2.gz JHWNJQLEYYEWJO-QGZVFWFLSA-N 2 2 336.439 2.250 50 30 EEEALP C[NH+]1CCN2CC[N@@H+](Cc3ccc(-c4ccccc4C#N)o3)C[C@H]2C1 ZINC000225341112 464156204 /nfs/dbraw/zinc/15/62/04/464156204.db2.gz JHWNJQLEYYEWJO-QGZVFWFLSA-N 2 2 336.439 2.250 50 30 EEEALP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)c1 ZINC000097200689 463346612 /nfs/dbraw/zinc/34/66/12/463346612.db2.gz SLXUVLOBRFRJTP-INIZCTEOSA-N 2 2 341.459 2.076 50 30 EEEALP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)c1 ZINC000097200689 463346620 /nfs/dbraw/zinc/34/66/20/463346620.db2.gz SLXUVLOBRFRJTP-INIZCTEOSA-N 2 2 341.459 2.076 50 30 EEEALP C=CCN1CC[NH+](CCn2cc(C[N@H+]3CCC[C@@H](C)C3)c(C)n2)CC1 ZINC000065397978 462763849 /nfs/dbraw/zinc/76/38/49/462763849.db2.gz MGOMUFJRZKUFIH-GOSISDBHSA-N 2 2 345.535 2.227 50 30 EEEALP C=CCN1CC[NH+](CCn2cc(C[N@@H+]3CCC[C@@H](C)C3)c(C)n2)CC1 ZINC000065397978 462763853 /nfs/dbraw/zinc/76/38/53/462763853.db2.gz MGOMUFJRZKUFIH-GOSISDBHSA-N 2 2 345.535 2.227 50 30 EEEALP Cc1ccc(C#N)c(N2CCC[C@H](c3[nH+]ccn3CC[NH+](C)C)C2)n1 ZINC000095530181 463105772 /nfs/dbraw/zinc/10/57/72/463105772.db2.gz QEHBZBCMICCVHI-KRWDZBQOSA-N 2 2 338.459 2.404 50 30 EEEALP C[NH+]1CCN(/C(NC(=O)c2ccc(F)cc2)=[NH+]/c2ccccc2)CC1 ZINC000015729134 462961197 /nfs/dbraw/zinc/96/11/97/462961197.db2.gz ZAKJMUDFRRESLH-UHFFFAOYSA-N 2 2 340.402 2.491 50 30 EEEALP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1 ZINC000065590137 462803498 /nfs/dbraw/zinc/80/34/98/462803498.db2.gz VNGHGFPNFZUZBI-MRXNPFEDSA-N 2 2 341.459 2.076 50 30 EEEALP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC3(C#N)CCCC3)C2)[nH+]1 ZINC000065590137 462803502 /nfs/dbraw/zinc/80/35/02/462803502.db2.gz VNGHGFPNFZUZBI-MRXNPFEDSA-N 2 2 341.459 2.076 50 30 EEEALP N#CC1(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000097200575 463346219 /nfs/dbraw/zinc/34/62/19/463346219.db2.gz ACTUYEHBBHKMHQ-INIZCTEOSA-N 2 2 341.459 2.158 50 30 EEEALP N#CC1(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CCCCC1 ZINC000097200575 463346220 /nfs/dbraw/zinc/34/62/20/463346220.db2.gz ACTUYEHBBHKMHQ-INIZCTEOSA-N 2 2 341.459 2.158 50 30 EEEALP Cc1ccc[nH+]c1N1CC[NH+](Cc2cc(C#CCO)cs2)CC1 ZINC000067973964 132397472 /nfs/dbraw/zinc/39/74/72/132397472.db2.gz BDJADGSMPYKYDO-UHFFFAOYSA-N 2 2 327.453 2.118 50 30 EEEALP