smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878400	570308575	/nfs/dbraw/zinc/30/85/75/570308575.db2.gz	RQDBXYINISFHJW-ZDUSSCGKSA-N	1	2	387.933	2.195	40	70		GEIBLO
CCC[C@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871099	570308616	/nfs/dbraw/zinc/30/86/16/570308616.db2.gz	BCSOPLLUBSSYCI-ZDUSSCGKSA-N	1	2	387.933	2.195	40	70		GEIBLO
CC(C)CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878296	570308765	/nfs/dbraw/zinc/30/87/65/570308765.db2.gz	UCUPVPNDWUCSGM-UHFFFAOYSA-N	1	2	387.933	2.052	40	70		GEIBLO
Cc1ccc(C(=O)N(C)C2CCCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216859771	570308298	/nfs/dbraw/zinc/30/82/98/570308298.db2.gz	BTOXDWFQZCQHLF-UHFFFAOYSA-N	1	2	393.553	2.336	40	70		GEIBLO
CCC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216873312	570308520	/nfs/dbraw/zinc/30/85/20/570308520.db2.gz	OWTHHEHTIPWUCH-UHFFFAOYSA-N	1	2	387.933	2.195	40	70		GEIBLO
CC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871038	570308525	/nfs/dbraw/zinc/30/85/25/570308525.db2.gz	MOXCAVCUPGHDGY-UHFFFAOYSA-N	1	2	387.933	2.052	40	70		GEIBLO
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1	ZINC000216860585	570308291	/nfs/dbraw/zinc/30/82/91/570308291.db2.gz	IVDSNTDKDUCAME-UHFFFAOYSA-N	1	2	387.505	2.492	40	70		GEIBLO
Cc1ccccc1NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216881320	570308544	/nfs/dbraw/zinc/30/85/44/570308544.db2.gz	MDYXQXXLPWGVMK-UHFFFAOYSA-N	1	2	387.505	2.325	40	70		GEIBLO
C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)C1	ZINC000216880029	570308607	/nfs/dbraw/zinc/30/86/07/570308607.db2.gz	RRKDDXIILNFGKL-AWEZNQCLSA-N	1	2	399.944	2.148	40	70		GEIBLO
C[NH+]1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1	ZINC000216950125	570310261	/nfs/dbraw/zinc/31/02/61/570310261.db2.gz	CPMKAWPGCUZUCV-UHFFFAOYSA-N	1	2	379.507	2.373	40	70		GEIBLO
CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878353	570308586	/nfs/dbraw/zinc/30/85/86/570308586.db2.gz	RQDBXYINISFHJW-CYBMUJFWSA-N	1	2	387.933	2.195	40	70		GEIBLO
C[C@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1	ZINC000216872251	570308506	/nfs/dbraw/zinc/30/85/06/570308506.db2.gz	XRSNUIQDUCFBMG-AWEZNQCLSA-N	1	2	399.944	2.148	40	70		GEIBLO
Cc1ccc(C(=O)N2CCCC(C)(C)C2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216859002	570308199	/nfs/dbraw/zinc/30/81/99/570308199.db2.gz	BTZXNOPINNYDGB-UHFFFAOYSA-N	1	2	393.553	2.193	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(F)cc1	ZINC000216861944	570308258	/nfs/dbraw/zinc/30/82/58/570308258.db2.gz	OQDXOFHOSANSKF-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCCC(C)(C)C1	ZINC000216864884	570308676	/nfs/dbraw/zinc/30/86/76/570308676.db2.gz	PWQQLKASTVLCKW-UHFFFAOYSA-N	1	2	393.553	2.193	40	70		GEIBLO
CCC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216881124	570308731	/nfs/dbraw/zinc/30/87/31/570308731.db2.gz	WDIKLBMDRJQSSU-UHFFFAOYSA-N	1	2	387.933	2.195	40	70		GEIBLO
CCCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216870998	570308583	/nfs/dbraw/zinc/30/85/83/570308583.db2.gz	HKDBCWQGHQAZEY-UHFFFAOYSA-N	1	2	387.933	2.196	40	70		GEIBLO
C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)C1	ZINC000216872204	570308772	/nfs/dbraw/zinc/30/87/72/570308772.db2.gz	XRSNUIQDUCFBMG-CQSZACIVSA-N	1	2	399.944	2.148	40	70		GEIBLO
O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2c(c1)OCCCO2	ZINC000217564307	570318048	/nfs/dbraw/zinc/31/80/48/570318048.db2.gz	ILXDFGUYCYBLSB-DOTOQJQBSA-N	1	2	380.444	2.312	40	70		GEIBLO
O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc2c(c1)OCCCO2	ZINC000217564307	570318051	/nfs/dbraw/zinc/31/80/51/570318051.db2.gz	ILXDFGUYCYBLSB-DOTOQJQBSA-N	1	2	380.444	2.312	40	70		GEIBLO
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216856057	570308060	/nfs/dbraw/zinc/30/80/60/570308060.db2.gz	ZDUNJSGOSPIGGR-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
CN(C(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)C1CCCCC1	ZINC000216889198	570309061	/nfs/dbraw/zinc/30/90/61/570309061.db2.gz	GLNFELSHHJJDFT-UHFFFAOYSA-N	1	2	393.553	2.169	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)N3CCCC(C)(C)C3)cc2)CC1	ZINC000216887884	570308990	/nfs/dbraw/zinc/30/89/90/570308990.db2.gz	ALCPWOCNSSSGCA-UHFFFAOYSA-N	1	2	393.553	2.026	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N(C)C1CCCCC1	ZINC000216865615	570308747	/nfs/dbraw/zinc/30/87/47/570308747.db2.gz	OSLPUHBGJOFLSP-UHFFFAOYSA-N	1	2	393.553	2.336	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(F)cc3)cc2)CC1	ZINC000216883466	211746493	/nfs/dbraw/zinc/74/64/93/211746493.db2.gz	OLVFMGFRQUUWKY-UHFFFAOYSA-N	1	2	391.468	2.155	40	70		GEIBLO
Cc1cccc(NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c1	ZINC000216860550	570308138	/nfs/dbraw/zinc/30/81/38/570308138.db2.gz	JBBZUOIKVBSYJB-UHFFFAOYSA-N	1	2	387.505	2.492	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N3CCCCCC3)c2)CC1	ZINC000216875784	570308551	/nfs/dbraw/zinc/30/85/51/570308551.db2.gz	KTXJOEYSIWEZGZ-UHFFFAOYSA-N	1	2	399.944	2.292	40	70		GEIBLO
CC(C)C(NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)C(C)C	ZINC000216883402	570309168	/nfs/dbraw/zinc/30/91/68/570309168.db2.gz	VMTLLWWWNBMDER-UHFFFAOYSA-N	1	2	395.569	2.174	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC(C(C)C)C(C)C	ZINC000216861896	211744637	/nfs/dbraw/zinc/74/46/37/211744637.db2.gz	HVVQPQFGZCJNFK-UHFFFAOYSA-N	1	2	395.569	2.342	40	70		GEIBLO
Cc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216856170	570308077	/nfs/dbraw/zinc/30/80/77/570308077.db2.gz	VGJRZVJGDQWLDD-UHFFFAOYSA-N	1	2	393.553	2.384	40	70		GEIBLO
Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855505	570308163	/nfs/dbraw/zinc/30/81/63/570308163.db2.gz	QGRZNBVUFPEDJM-UHFFFAOYSA-N	1	2	395.569	2.342	40	70		GEIBLO
C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)C1	ZINC000216879991	570308668	/nfs/dbraw/zinc/30/86/68/570308668.db2.gz	RRKDDXIILNFGKL-CQSZACIVSA-N	1	2	399.944	2.148	40	70		GEIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1	ZINC000217565809	570318102	/nfs/dbraw/zinc/31/81/02/570318102.db2.gz	CBYJQMFPSVGCOL-QWHCGFSZSA-N	1	2	382.851	2.358	40	70		GEIBLO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1	ZINC000217565809	570318104	/nfs/dbraw/zinc/31/81/04/570318104.db2.gz	CBYJQMFPSVGCOL-QWHCGFSZSA-N	1	2	382.851	2.358	40	70		GEIBLO
Cc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216881380	570308635	/nfs/dbraw/zinc/30/86/35/570308635.db2.gz	WZQCGVNOVZFFKH-UHFFFAOYSA-N	1	2	387.505	2.325	40	70		GEIBLO
Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216860515	570308102	/nfs/dbraw/zinc/30/81/02/570308102.db2.gz	ZOUZVELDGPKNLE-UHFFFAOYSA-N	1	2	387.505	2.492	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CCCCCC1	ZINC000216862373	570308738	/nfs/dbraw/zinc/30/87/38/570308738.db2.gz	OGVCPXSVKUMIDN-UHFFFAOYSA-N	1	2	393.553	2.384	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1cccc(F)c1	ZINC000216862299	570308566	/nfs/dbraw/zinc/30/85/66/570308566.db2.gz	BWPQVMIATLWFFH-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2Cl)CC1	ZINC000216868779	570308684	/nfs/dbraw/zinc/30/86/84/570308684.db2.gz	ZHGBDDDWYRLFCT-UHFFFAOYSA-N	1	2	399.944	2.339	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NC3CCCCCC3)cc2)CC1	ZINC000216884334	570309016	/nfs/dbraw/zinc/30/90/16/570309016.db2.gz	CYRVDZGGNKDFQT-UHFFFAOYSA-N	1	2	393.553	2.216	40	70		GEIBLO
Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1	ZINC000216853985	222577930	/nfs/dbraw/zinc/57/79/30/222577930.db2.gz	ICPPHTOVPVSODQ-UHFFFAOYSA-N	1	2	387.505	2.492	40	70		GEIBLO
CC1CCN(C(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)CC1	ZINC000216875741	570308612	/nfs/dbraw/zinc/30/86/12/570308612.db2.gz	AWNKWUKPNICCOL-UHFFFAOYSA-N	1	2	399.944	2.148	40	70		GEIBLO
C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1	ZINC000216873927	222579114	/nfs/dbraw/zinc/57/91/14/222579114.db2.gz	SYFLWVFRRUBETM-UHFFFAOYSA-N	1	2	399.944	2.339	40	70		GEIBLO
CCCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216878185	570308622	/nfs/dbraw/zinc/30/86/22/570308622.db2.gz	OXSCSEHFINJYQM-UHFFFAOYSA-N	1	2	387.933	2.196	40	70		GEIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccccc1F	ZINC000216861920	570308187	/nfs/dbraw/zinc/30/81/87/570308187.db2.gz	DOEAGXTWSUWDIS-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
Cc1ccc(C(=O)Nc2ccccc2F)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855539	570308240	/nfs/dbraw/zinc/30/82/40/570308240.db2.gz	OELKLXIZAXRVEQ-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855571	570308271	/nfs/dbraw/zinc/30/82/71/570308271.db2.gz	VFPHEGMLWIQCPF-UHFFFAOYSA-N	1	2	391.468	2.323	40	70		GEIBLO
CCC[C@@H](C)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216871073	570308655	/nfs/dbraw/zinc/30/86/55/570308655.db2.gz	BCSOPLLUBSSYCI-CYBMUJFWSA-N	1	2	387.933	2.195	40	70		GEIBLO